data_1x0o_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 1x0o _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 ' 9' ' ' PRO . . . . . 0.625 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 37.4 Cg_exo . . . . . 0 CA--C 1.533 0.45 0 CA-C-O 120.645 0.186 . . . . 0.0 111.824 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -90.23 25.91 2.06 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.381 0.61 . . . . 0.0 111.525 -175.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.637 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 34.0 tt0 -134.93 134.9 41.1 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 172.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -131.65 159.43 38.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.188 0.518 . . . . 0.0 111.636 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.9 mm -117.94 135.91 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.455 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.7 m -140.62 143.06 35.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.969 0.414 . . . . 0.0 111.434 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -99.66 126.04 45.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 174.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.656 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -140.95 149.49 41.9 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.469 -0.892 . . . . 0.0 112.859 -175.793 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.799 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 2.6 t-20 -62.86 146.94 51.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 113.733 -1.576 . . . . 0.0 109.319 173.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.418 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 27.1 pt -56.58 -21.75 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -170.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -84.68 2.1 43.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.308 0.575 . . . . 0.0 110.357 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.82 5.04 45.12 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.807 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.799 ' HB ' ' HB3' ' A' ' 17' ' ' ASN . 43.8 mm -78.94 115.12 20.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 CA-C-N 116.874 0.337 . . . . 0.0 110.982 -173.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.482 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 93.0 m-85 -69.84 121.72 17.83 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.111 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 m -100.39 -38.26 8.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.406 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -146.96 128.24 14.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.195 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.568 HG23 ' HB2' ' A' ' 40' ' ' LEU . 85.5 t -124.87 136.88 59.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.585 -177.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -82.8 148.17 27.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.084 175.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -56.37 -15.71 4.49 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 -171.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.637 ' HD2' ' O ' ' A' ' 11' ' ' GLU . 84.6 mtm180 -64.75 -5.86 6.74 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 8.9 p -61.19 -35.28 76.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.437 176.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.9 t -68.2 -41.66 84.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.827 -176.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.56 -50.37 38.15 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.432 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.6 m -60.04 -55.06 38.63 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.529 HG13 ' CD1' ' A' ' 78' ' ' PHE . 11.5 m -137.69 26.48 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -170.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.71 -23.3 0.52 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 114.578 0.591 . . . . 0.0 114.578 173.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.43 ' HD1' ' HD3' ' A' ' 81' ' ' LYS . 10.7 m-30 -73.66 147.04 44.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.344 0.592 . . . . 0.0 110.827 -172.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -89.36 159.14 45.08 Favored Pre-proline 0 C--N 1.311 -1.104 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.607 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 52.9 Cg_exo -51.79 -46.52 31.58 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 121.605 1.537 . . . . 0.0 110.549 178.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -56.11 -37.12 68.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.233 -1.349 . . . . 0.0 111.504 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -63.14 -32.61 74.03 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.968 -172.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.568 ' HB2' HG23 ' A' ' 25' ' ' VAL . 3.0 mm? -85.59 -30.35 23.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.444 -178.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 55.3 mt -61.62 107.03 0.74 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.059 0.457 . . . . 0.0 111.575 -172.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.21 -5.49 33.89 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.135 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.881 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 11.0 mmpt? -106.82 154.08 21.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.632 0.253 . . . . 0.0 110.834 -179.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.569 ' HB3' HG11 ' A' ' 46' ' ' VAL . 10.0 m120 -84.0 137.21 33.72 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 170.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.482 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 13.9 tt -59.17 -20.46 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.159 0.505 . . . . 0.0 110.165 172.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.569 HG11 ' HB3' ' A' ' 44' ' ' ASN . 8.7 p -76.57 -15.49 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.563 ' HG3' ' HB2' ' A' ' 44' ' ' ASN . 46.1 mt-10 -74.21 -34.89 63.85 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.316 0.579 . . . . 0.0 109.926 176.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -101.33 11.78 38.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.235 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.467 ' HG ' ' CD1' ' A' ' 57' ' ' LEU . 52.5 t -89.51 139.17 30.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.409 177.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.87 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 17.4 t-80 -48.78 123.91 12.13 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.441 174.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.56 -18.99 9.34 Favored 'Trans proline' 0 N--CA 1.478 0.565 0 C-N-CA 123.866 3.044 . . . . 0.0 114.662 -173.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -94.31 -6.41 44.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.15 -0.344 . . . . 0.0 111.383 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -124.25 3.66 8.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.862 0.363 . . . . 0.0 110.303 -175.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.421 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 79.0 mt-30 -63.6 -39.68 95.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.049 0.452 . . . . 0.0 110.615 -177.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -72.29 -32.74 66.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.461 176.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.5 tp -59.35 -44.26 92.68 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.283 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' A' ' 49' ' ' CYS . 14.5 mt -61.69 -46.41 89.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.551 174.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.564 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 66.4 ttt180 -56.92 -54.01 51.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.476 -177.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -55.44 -44.98 76.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.282 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.0 m -73.5 -35.32 65.62 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.306 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.459 ' O ' HG22 ' A' ' 65' ' ' VAL . 6.5 m-30 -66.36 -34.6 78.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.296 0.57 . . . . 0.0 109.793 177.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 16.8 mm100 -65.55 -36.19 83.07 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.74 176.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -73.85 -32.71 63.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.609 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.452 HG11 ' O ' ' A' ' 61' ' ' PHE . 10.5 p -69.49 -29.2 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.529 175.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 61' ' ' PHE . 55.2 t -74.76 -21.5 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.374 0.607 . . . . 0.0 109.781 173.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.555 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 56.2 mtpt -79.46 -45.45 19.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.54 174.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.452 ' CD1' HD11 ' A' ' 72' ' ' LEU . 73.6 mt -68.42 -50.86 49.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.005 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.47 ' HB3' ' OE1' ' A' ' 96' ' ' GLN . 97.3 mttt 61.93 98.46 0.03 OUTLIER 'General case' 0 C--O 1.236 0.386 0 O-C-N 123.988 0.805 . . . . 0.0 112.299 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.89 -17.91 53.55 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.277 176.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.411 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 5.8 tp-100 -91.8 137.61 32.22 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 92' ' ' SER . 4.6 p -76.69 120.54 27.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-O 121.45 0.643 . . . . 0.0 109.777 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.452 HD11 ' CD1' ' A' ' 67' ' ' LEU . 16.0 tp -117.45 116.03 26.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.431 -175.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.407 ' HB2' ' HD2' ' A' ' 89' ' ' ARG . 59.3 p -89.38 125.21 35.05 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.08 0.467 . . . . 0.0 111.104 -174.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.7 p -126.01 133.27 69.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.527 0.68 . . . . 0.0 109.929 174.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.7 ttt -112.76 127.57 56.19 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.322 -173.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.423 ' CD1' HD23 ' A' ' 57' ' ' LEU . 11.7 p90 -152.28 179.22 8.72 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.299 -173.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.87 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 75.6 mtt180 -104.97 116.41 31.91 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 176.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.529 ' CD1' HG13 ' A' ' 33' ' ' VAL . 8.6 t80 -90.37 136.52 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.706 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 43.9 ttp180 -82.9 102.59 11.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.151 0.5 . . . . 0.0 110.815 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.689 ' HB3' ' HG2' ' A' ' 84' ' ' GLU . 48.4 t -62.64 175.17 0.84 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.866 174.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.43 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 44.7 tptt -70.81 3.08 3.49 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.438 0.637 . . . . 0.0 110.768 -178.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' A' ' 80' ' ' SER . 72.5 m-20 -106.94 7.07 29.77 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.486 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 2.3 mp0 61.69 31.77 18.53 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.138 -1.392 . . . . 0.0 109.816 176.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.706 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 15.6 pt-20 -100.13 160.18 14.52 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 113.747 -1.57 . . . . 0.0 109.343 177.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.521 ' CH2' ' HD3' ' A' ' 79' ' ' ARG . 59.7 m95 -116.76 84.25 2.11 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.359 0.599 . . . . 0.0 110.306 -176.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -90.44 160.69 15.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.168 -176.071 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -85.83 112.31 20.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.281 0.563 . . . . 0.0 111.721 -173.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.619 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 1.4 ttp -125.94 139.32 53.54 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.532 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.407 ' HD2' ' HB2' ' A' ' 73' ' ' SER . 51.6 ttp180 -108.26 118.32 36.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.852 175.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.1 m -95.02 124.49 39.09 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.492 176.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.493 ' HB2' ' HB ' ' A' ' 109' ' ' THR . 68.1 m -92.0 118.71 31.04 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 172.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 6.3 m -91.51 132.9 35.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.891 -171.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -138.82 135.67 34.83 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.363 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.587 ' HB ' HD12 ' A' ' 103' ' ' ILE . 32.3 p -105.52 115.72 30.73 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 176.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -77.89 105.2 8.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.02 0.438 . . . . 0.0 109.946 -177.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.47 ' OE1' ' HB3' ' A' ' 68' ' ' LYS . 54.4 mt-30 . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.141 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.587 HD12 ' HB ' ' A' ' 94' ' ' THR . 90.8 mt . . . . . 0 CA--C 1.514 -0.408 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -82.95 -41.13 19.19 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.984 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -164.37 168.3 18.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.693 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.656 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 55.9 mt -99.39 147.57 7.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 174.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.6 mt -109.96 115.59 50.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 54.7 m -90.01 102.8 15.51 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.816 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.493 ' HB ' ' HB2' ' A' ' 91' ' ' SER . 46.9 m -90.09 109.63 20.68 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 168.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.619 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 6.0 m-20 -112.65 110.66 20.94 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.995 0.426 . . . . 0.0 110.865 -169.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.1 m -112.95 115.53 28.56 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.942 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -85.49 125.88 33.39 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.262 -175.913 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo . . . . . 0 CA--C 1.53 0.305 0 CA-C-O 120.763 0.235 . . . . 0.0 112.116 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.57 6.66 9.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.69 -176.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.795 ' HG2' ' HA ' ' A' ' 111' ' ' THR . 45.9 mt-10 -110.61 134.77 52.11 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 173.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -116.07 134.62 54.75 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.447 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 13' ' ' ILE . 4.5 mp -105.98 127.65 60.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.196 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.2 m -140.07 148.23 41.46 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.521 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -105.44 122.58 46.29 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.557 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.4 OUTLIER -131.33 152.62 50.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.72 0.771 . . . . 0.0 112.464 -172.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.61 148.81 51.12 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 113.596 -1.638 . . . . 0.0 109.656 178.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.2 pt -52.68 -21.48 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -170.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -87.12 -3.59 59.08 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.936 0.398 . . . . 0.0 110.783 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.79 13.79 28.78 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.916 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.3 mm -91.14 123.78 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 116.961 0.381 . . . . 0.0 111.039 -175.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.417 ' HE2' ' HA ' ' A' ' 45' ' ' ILE . 96.7 m-85 -74.65 120.33 20.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.888 0.375 . . . . 0.0 110.925 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.6 p -110.08 -30.41 7.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.079 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -139.07 119.84 14.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.195 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.8 t -127.5 135.94 61.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.748 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -89.21 150.93 22.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.158 0.504 . . . . 0.0 110.602 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.438 ' O ' HG22 ' A' ' 30' ' ' VAL . 72.9 m80 -54.63 -15.21 1.65 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -171.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -62.15 -12.06 17.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.967 0.413 . . . . 0.0 110.82 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 32.5 t -50.61 -40.04 51.7 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.954 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 27' ' ' HIS . 19.4 m -67.21 -34.38 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 111.612 -175.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.82 -51.9 29.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.681 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.404 HG22 ' HE1' ' A' ' 88' ' ' MET . 3.3 m -69.13 -53.86 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.632 HG12 ' HE1' ' A' ' 88' ' ' MET . 18.4 m -123.75 9.76 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -168.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.2 -30.38 1.61 Allowed Glycine 0 CA--C 1.523 0.556 0 C-N-CA 120.666 -0.778 . . . . 0.0 113.94 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.435 ' HD1' ' HD3' ' A' ' 81' ' ' LYS . 22.9 m-85 -70.9 147.75 48.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.273 0.558 . . . . 0.0 111.276 -174.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.628 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 75.8 mm-40 -79.79 146.95 65.57 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 169.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.685 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 88.1 Cg_exo -46.48 -46.32 17.58 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 121.996 1.798 . . . . 0.0 111.357 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -54.94 -49.85 70.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.416 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.628 ' HG3' ' HB2' ' A' ' 36' ' ' GLN . 37.3 mt-10 -62.18 -29.23 70.22 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.948 -175.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 tp -83.89 -28.94 27.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.5 -177.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 75.1 mt -62.6 106.63 0.81 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.053 0.454 . . . . 0.0 110.913 178.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.91 -13.15 12.99 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.207 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.767 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -99.38 152.72 19.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.841 0.353 . . . . 0.0 110.276 177.287 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.538 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 9.4 t-20 -86.77 141.7 28.67 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 173.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.42 HG12 ' SG ' ' A' ' 49' ' ' CYS . 13.2 tt -55.95 -42.04 69.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.576 176.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.5 t -63.07 -25.02 37.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 122.842 0.457 . . . . 0.0 111.701 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.538 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 35.2 mm-40 -68.56 -29.6 68.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.48 0.657 . . . . 0.0 110.324 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -100.84 13.23 35.69 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.083 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.42 ' SG ' HG12 ' A' ' 45' ' ' ILE . 75.3 m -105.93 120.9 42.94 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.239 172.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' A' ' 77' ' ' ARG . 7.7 p80 -62.21 153.26 75.78 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.001 0.429 . . . . 0.0 111.195 -172.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -47.0 -54.16 5.35 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 124.329 3.353 . . . . 0.0 115.179 -160.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -78.86 -4.93 52.1 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -170.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -102.25 -6.2 23.42 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.05 0.452 . . . . 0.0 109.943 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -65.96 -34.64 78.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.775 -177.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -66.58 -40.06 88.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.747 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.6 mt -57.17 -50.62 72.25 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.437 175.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.1 mt -62.81 -38.79 92.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.646 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.568 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 94.7 mtt180 -57.33 -58.84 6.5 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.785 176.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.627 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 9.0 t70 -61.46 -43.15 99.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.73 -176.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' A' ' 63' ' ' GLN . 79.1 p -70.55 -41.69 72.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.231 0.538 . . . . 0.0 111.383 -174.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.46 ' O ' HG22 ' A' ' 65' ' ' VAL . 5.0 m-85 -61.85 -35.23 77.67 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.948 174.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 32.1 mm-40 -65.39 -38.35 89.71 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 174.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.627 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 34.4 mm-40 -58.45 -48.88 79.3 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.34 179.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.805 HG13 ' HG ' ' A' ' 92' ' ' SER . 10.2 p -69.21 -25.32 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.191 -177.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.611 ' HA ' HG22 ' A' ' 94' ' ' THR . 57.0 t -71.71 -42.9 70.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.831 0.348 . . . . 0.0 110.202 177.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -77.52 -18.9 56.57 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.633 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 37.5 mt -73.65 -56.9 4.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.924 174.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.761 ' HG2' HD12 ' A' ' 103' ' ' ILE . 98.6 mttt 62.12 96.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.267 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.44 -6.34 57.59 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.927 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.492 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 27.6 mm-40 -103.09 137.99 40.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.591 0.234 . . . . 0.0 110.663 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 92' ' ' SER . 60.5 t -77.33 123.82 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.186 178.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.42 HD21 ' CD1' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -113.78 121.2 43.33 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -177.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.3 m -100.0 121.67 41.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.991 0.424 . . . . 0.0 110.905 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.4 p -134.23 136.67 52.96 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.752 0 CA-C-O 121.51 0.672 . . . . 0.0 110.214 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.6 ttt -113.06 134.08 54.69 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.751 -172.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.455 ' HE1' ' OG1' ' A' ' 90' ' ' THR . 30.0 p90 -155.61 179.77 8.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.482 -174.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.585 ' HB2' ' CD2' ' A' ' 50' ' ' HIS . 14.6 mtt180 -112.75 122.86 48.89 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 177.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.434 ' HD2' ' CE2' ' A' ' 76' ' ' PHE . 6.8 t80 -100.44 151.46 21.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.838 -175.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -90.29 115.57 27.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.633 0.254 . . . . 0.0 110.681 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.461 ' HB3' ' CG ' ' A' ' 84' ' ' GLU . 32.4 t -74.17 179.42 4.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.954 0.407 . . . . 0.0 111.038 177.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.435 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 22.2 tptm -68.37 -10.78 57.43 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.345 0.593 . . . . 0.0 110.304 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -99.08 6.74 46.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.673 -177.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 64.59 21.64 12.47 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.77 -178.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.461 ' CG ' ' HB3' ' A' ' 80' ' ' SER . 10.4 pt-20 -92.28 158.1 16.3 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.395 174.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.485 ' CE3' ' HB3' ' A' ' 50' ' ' HIS . 94.8 m95 -114.94 107.29 15.2 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.831 0.348 . . . . 0.0 110.404 -177.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -109.22 155.44 21.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.008 0.433 . . . . 0.0 111.868 -178.056 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -84.36 127.0 33.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.941 -176.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.632 ' HE1' HG12 ' A' ' 33' ' ' VAL . 18.1 ptp -145.39 150.47 36.61 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.23 0.538 . . . . 0.0 111.098 174.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -105.96 123.59 48.23 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.046 176.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 109' ' ' THR . 49.6 m -94.24 125.44 38.88 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.277 0.56 . . . . 0.0 110.702 175.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.2 m -96.05 112.28 24.06 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 172.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.805 ' HG ' HG13 ' A' ' 64' ' ' VAL . 7.0 t -94.7 156.14 16.54 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.593 0.711 . . . . 0.0 110.616 -175.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.474 ' HB3' ' HB ' ' A' ' 107' ' ' ILE . 60.2 t80 -155.95 134.14 11.44 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.206 -1.361 . . . . 0.0 107.877 175.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.614 ' HB ' HD13 ' A' ' 103' ' ' ILE . 2.5 p -104.17 108.43 19.81 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.158 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -76.48 110.51 11.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.926 -172.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.565 ' NE2' ' HD3' ' A' ' 68' ' ' LYS . 70.6 mt-30 . . . . . 0 N--CA 1.447 -0.624 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.611 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.761 HD12 ' HG2' ' A' ' 68' ' ' LYS . 89.3 mt . . . . . 0 CA--C 1.511 -0.531 0 CA-C-O 121.441 0.639 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.444 ' HG3' ' CD2' ' A' ' 105' ' ' TYR . 3.7 pt-20 -76.55 -39.8 51.7 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.079 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.444 ' CD2' ' HG3' ' A' ' 104' ' ' GLU . 22.4 p90 -166.06 168.16 15.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.985 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.557 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 45.8 mt -98.88 145.63 9.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.778 175.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.474 ' HB ' ' HB3' ' A' ' 93' ' ' PHE . 52.4 mt -100.17 122.99 52.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 9.9 t -110.59 99.18 8.2 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.029 -174.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' A' ' 90' ' ' THR . 25.7 m -103.24 122.41 44.7 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 174.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 11' ' ' GLU . 4.1 m-20 -118.56 116.01 25.75 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.509 -172.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.795 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 23.1 m -94.92 119.49 33.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.925 -178.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -79.22 110.43 14.48 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.323 -0.574 0 CA-C-O 121.199 0.523 . . . . 0.0 110.095 -178.427 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.63 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 23.7 Cg_exo . . . . . 0 N--CA 1.464 -0.223 0 N-CA-C 110.885 -0.467 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.445 ' HB ' ' HB3' ' A' ' 112' ' ' ASN . 12.7 p -87.34 31.43 0.74 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.462 0.649 . . . . 0.0 111.909 -174.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 40.0 tt0 -131.31 132.93 44.88 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 168.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -137.62 142.02 41.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.024 0.44 . . . . 0.0 110.524 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.9 tt -94.68 137.97 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.397 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.2 p -136.84 135.8 38.23 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.624 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.481 ' HG2' HG12 ' A' ' 107' ' ' ILE . 91.1 mtt180 -112.17 133.63 54.19 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.569 ' HB3' ' HA ' ' A' ' 22' ' ' PHE . 1.6 p-80 -148.2 165.77 29.93 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.494 0.664 . . . . 0.0 112.531 -173.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.61 153.15 35.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.643 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.546 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 42.6 pt -50.83 -30.71 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -167.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -69.98 -17.18 63.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.728 0.299 . . . . 0.0 111.029 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.81 12.95 13.3 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.218 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.2 mm -90.85 110.36 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.612 0.206 . . . . 0.0 110.567 -175.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.607 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 97.8 m-85 -68.6 135.08 50.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.96 0.41 . . . . 0.0 111.938 -173.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 p -118.54 -21.24 8.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.162 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -147.12 122.72 10.46 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.643 176.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.499 HG23 ' HB3' ' A' ' 40' ' ' LEU . 94.2 t -130.89 136.81 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.777 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.416 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 13.1 t70 -86.29 148.22 25.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.176 0.513 . . . . 0.0 110.907 177.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -50.89 -22.08 2.03 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.607 -1.179 . . . . 0.0 113.857 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.63 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 74.4 mtt180 -66.01 -5.83 10.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.929 0.395 . . . . 0.0 111.714 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 18.8 p -63.77 -36.54 84.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.478 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.8 m -63.0 -31.31 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 120.954 0.407 . . . . 0.0 110.941 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.16 -51.95 8.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.706 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -60.13 -51.51 69.29 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 80' ' ' SER . 22.1 m -130.48 5.67 2.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -168.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.06 -34.39 3.23 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.08 -1.057 . . . . 0.0 113.696 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -72.12 144.68 48.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.957 0.408 . . . . 0.0 111.222 -175.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -89.38 162.77 35.99 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.684 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 82.0 Cg_exo -46.98 -51.8 8.74 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.248 1.965 . . . . 0.0 112.327 -178.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -62.02 -38.96 90.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.591 -178.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.93 -36.45 72.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.754 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.584 ' HG ' ' CD1' ' A' ' 22' ' ' PHE . 10.1 tp -88.77 -20.86 24.2 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.741 -174.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.684 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 64.1 mt -70.33 95.54 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.672 178.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 130.39 -25.95 4.21 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.934 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -107.79 136.15 48.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.915 0.388 . . . . 0.0 110.275 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.527 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 31.5 t-20 -73.33 143.85 46.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.068 -173.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.607 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 15.2 tt -61.76 -26.45 39.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.53 175.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.2 t -75.44 -24.63 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.481 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.527 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 40.9 mm-40 -68.42 -27.67 66.4 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.433 0.635 . . . . 0.0 109.724 175.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -108.38 14.0 25.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.24 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.587 ' SG ' HD12 ' A' ' 57' ' ' LEU . 20.5 t -89.53 132.9 34.84 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.014 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -44.77 123.17 4.79 Favored Pre-proline 0 C--O 1.225 -0.21 0 O-C-N 123.786 0.679 . . . . 0.0 109.212 173.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -49.03 -27.68 12.41 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.834 3.022 . . . . 0.0 114.432 -173.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -90.42 -5.14 56.47 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 122.369 -0.207 . . . . 0.0 111.368 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -109.69 -5.53 15.6 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -174.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -64.28 -36.62 84.68 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.576 -173.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -70.36 -37.75 74.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.288 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tt -62.2 -48.28 80.72 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.587 HD12 ' SG ' ' A' ' 49' ' ' CYS . 13.9 mt -61.92 -41.77 98.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.554 175.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 71.1 ttt180 -57.07 -53.06 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.748 0.309 . . . . 0.0 110.196 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.615 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 5.2 t0 -59.29 -48.32 82.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.589 -179.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.6 m -70.31 -33.52 71.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.237 -172.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.504 ' O ' HG21 ' A' ' 65' ' ' VAL . 12.4 m-30 -67.75 -38.37 83.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.842 ' HA ' HE21 ' A' ' 62' ' ' GLN . 0.0 OUTLIER -65.16 -38.86 91.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.607 175.516 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.615 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 84.2 mm-40 -58.8 -52.04 67.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.661 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.45 HG11 ' HB3' ' A' ' 92' ' ' SER . 13.6 p -65.59 -29.41 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.13 -177.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.569 ' HA ' HG21 ' A' ' 94' ' ' THR . 81.7 t -69.5 -28.39 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.357 0.598 . . . . 0.0 110.03 176.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -82.53 -32.86 28.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.325 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 90.4 mt -70.72 -52.52 20.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.808 178.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.612 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 97.1 mttt 57.48 93.48 0.03 OUTLIER 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.677 0.751 . . . . 0.0 112.188 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.35 -24.11 16.61 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.275 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.444 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 6.3 tp-100 -86.28 129.26 34.91 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -178.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 92' ' ' SER . 51.8 t -77.7 110.87 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.658 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.415 HD12 ' CD1' ' A' ' 67' ' ' LEU . 15.4 tp -101.09 129.68 47.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.546 -173.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.3 m -90.25 121.81 32.61 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.787 0.327 . . . . 0.0 110.395 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.496 HG22 HD23 ' A' ' 57' ' ' LEU . 7.6 p -129.42 131.78 67.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.597 0.713 . . . . 0.0 110.1 174.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.3 ttt -113.72 131.42 56.19 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.168 -174.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.463 ' HE1' ' OG1' ' A' ' 90' ' ' THR . 8.0 p90 -160.07 178.73 9.39 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.922 -175.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.653 ' HB3' ' HB3' ' A' ' 85' ' ' TRP . 45.4 mtt180 -106.37 117.07 33.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.876 0.369 . . . . 0.0 111.014 176.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.521 ' O ' HD13 ' A' ' 86' ' ' LEU . 9.4 t80 -92.36 135.03 34.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.429 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 1.7 ttm180 -77.96 109.24 11.84 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.246 177.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.972 ' HB3' HD11 ' A' ' 86' ' ' LEU . 72.0 p -68.24 178.77 1.78 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.222 0.534 . . . . 0.0 111.347 176.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -75.39 1.84 12.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.127 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -108.49 8.86 27.53 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 68.34 11.74 8.47 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 114.486 -1.234 . . . . 0.0 112.115 177.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -101.11 149.8 23.59 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.653 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 22.4 m95 -103.52 105.4 15.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.215 -170.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.972 HD11 ' HB3' ' A' ' 80' ' ' SER . 0.0 OUTLIER -92.25 160.39 15.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.593 -174.631 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -88.69 118.22 28.22 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.013 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.405 ' HE2' HG12 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -132.05 144.94 51.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.074 174.844 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -104.45 110.32 22.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.653 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.463 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 75.8 m -94.5 131.43 40.23 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.627 -175.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.9 m -91.29 118.03 30.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.628 175.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.467 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 6.1 m -96.28 129.62 43.56 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.73 -177.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 85.3 t80 -139.46 135.76 33.9 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.689 174.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.644 ' HB ' HD13 ' A' ' 103' ' ' ILE . 38.6 p -104.66 109.07 20.85 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.52 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 3.5 t80 -73.38 105.03 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.939 0.399 . . . . 0.0 110.804 -173.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.643 ' HG2' HD12 ' A' ' 103' ' ' ILE . 55.2 mt-30 . . . . . 0 C--N 1.321 -0.653 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.231 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.644 HD13 ' HB ' ' A' ' 94' ' ' THR . 35.0 mm . . . . . 0 C--O 1.234 0.247 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -66.86 -43.45 83.56 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -177.9 177.7 1.04 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.521 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.556 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 58.6 mt -101.57 143.78 14.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 176.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.481 HG12 ' HG2' ' A' ' 15' ' ' ARG . 62.0 mt -119.78 112.82 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.427 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 87.5 m -114.36 111.78 22.02 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.611 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 90' ' ' THR . 26.0 m -87.65 131.46 34.44 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 173.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.478 ' O ' ' HA ' ' A' ' 11' ' ' GLU . 43.1 m-80 -118.12 112.8 20.66 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.491 -171.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.6 m -105.5 121.32 43.7 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.476 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.445 ' HB3' ' HB ' ' A' ' 10' ' ' THR . 3.8 t-20 -82.12 122.59 28.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 19.0 t . . . . . 0 C--N 1.32 -0.701 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.616 -177.572 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo . . . . . 0 N--CA 1.472 0.251 0 CA-C-O 120.614 0.173 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.11 6.93 23.53 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -174.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -100.13 143.54 30.21 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 172.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -142.16 152.79 43.53 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.288 -0.965 . . . . 0.0 111.496 173.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.5 mm -112.56 128.42 69.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.092 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.5 m -141.86 150.26 41.34 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.038 0.447 . . . . 0.0 111.024 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -112.15 125.82 54.54 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -139.5 145.42 38.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.008 -177.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.627 ' OD1' ' HB ' ' A' ' 21' ' ' ILE . 23.9 p-10 -79.98 171.23 15.38 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -177.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.9 pt -56.89 -30.01 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -162.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.2 -1.15 39.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.16 0.505 . . . . 0.0 110.435 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.01 27.25 14.11 Favored Glycine 0 N--CA 1.439 -1.116 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.737 177.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.627 ' HB ' ' OD1' ' A' ' 17' ' ' ASN . 39.0 mm -95.63 119.36 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 117.228 0.514 . . . . 0.0 110.206 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.602 ' CE1' ' HB ' ' A' ' 45' ' ' ILE . 95.6 m-85 -79.35 123.88 27.9 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.907 0.384 . . . . 0.0 111.267 -176.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.1 p -105.13 -27.04 11.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.918 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -142.28 125.02 15.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.17 176.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 37' ' ' PRO . 95.7 t -128.13 133.93 66.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -76.25 149.49 37.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.527 0.68 . . . . 0.0 110.991 175.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -54.51 -26.4 31.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.688 -1.142 . . . . 0.0 113.139 -171.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.5 mtt85 -70.61 -2.24 13.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.254 0.346 . . . . 0.0 111.806 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.4 t -56.99 -35.82 69.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.032 0.444 . . . . 0.0 110.476 174.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.588 HG13 ' HA ' ' A' ' 36' ' ' GLN . 5.1 m -70.72 -27.83 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.38 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.62 -50.1 19.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.815 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.675 HG23 HD22 ' A' ' 110' ' ' ASN . 7.7 m -68.26 -54.03 20.41 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 179.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.534 HG11 ' CD1' ' A' ' 78' ' ' PHE . 30.4 m -129.13 21.24 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -168.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.445 ' HA3' ' CB ' ' A' ' 81' ' ' LYS . . . 72.63 -29.79 0.73 Allowed Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.889 -0.672 . . . . 0.0 114.521 174.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -71.46 138.17 48.81 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.271 0.558 . . . . 0.0 111.243 -175.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.588 ' HA ' HG13 ' A' ' 30' ' ' VAL . 54.0 mm-40 -76.42 152.87 83.78 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.805 173.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.72 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 82.7 Cg_exo -47.83 -48.38 16.22 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 121.827 1.685 . . . . 0.0 110.898 174.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -56.16 -44.37 79.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.018 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.408 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 9.8 mm-40 -59.46 -33.13 70.91 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.155 -176.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.508 ' HG ' ' CD1' ' A' ' 22' ' ' PHE . 12.3 tp -89.3 -25.06 21.86 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.061 -174.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.72 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 79.1 mt -62.78 112.17 2.43 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.205 0.526 . . . . 0.0 111.432 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.13 -10.71 37.03 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.667 177.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.409 ' HD3' ' HZ ' ' A' ' 48' ' ' PHE . 64.6 mttp -105.33 159.72 15.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.141 0.496 . . . . 0.0 110.987 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.454 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 15.7 m120 -89.06 130.43 35.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.685 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.602 ' HB ' ' CE1' ' A' ' 22' ' ' PHE . 13.0 tt -60.15 -24.62 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.324 174.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.7 t -70.3 -31.1 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.76 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.454 ' HG2' ' HB2' ' A' ' 44' ' ' ASN . 26.4 mm-40 -71.87 -31.12 66.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.11 0.481 . . . . 0.0 110.317 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.409 ' HZ ' ' HD3' ' A' ' 43' ' ' LYS . 71.1 m-85 -96.82 6.02 49.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.3 176.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 52.5 t -89.38 139.25 30.7 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.629 175.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.546 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 40.0 t-80 -44.55 125.61 4.86 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.849 175.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -50.53 -29.24 24.06 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 124.014 3.143 . . . . 0.0 114.298 -171.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -89.77 -5.25 57.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.96 0.409 . . . . 0.0 111.342 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -116.29 5.57 13.63 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -63.76 -47.62 80.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.52 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -66.93 -32.15 73.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.58 176.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -59.57 -46.53 88.65 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.431 HD21 ' CD1' ' A' ' 76' ' ' PHE . 11.3 mt -63.63 -49.76 72.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.008 175.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.583 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 74.7 ttt180 -52.16 -56.66 13.15 Favored 'General case' 0 CA--C 1.519 -0.234 0 O-C-N 123.41 0.444 . . . . 0.0 110.634 -177.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.744 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 29.6 t70 -55.27 -50.35 69.74 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.981 -179.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 m -68.19 -31.77 71.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.18 -171.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.471 ' O ' HG22 ' A' ' 65' ' ' VAL . 15.9 m-30 -70.89 -36.2 72.64 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.722 -0.474 . . . . 0.0 109.722 174.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 83.1 mm-40 -66.0 -36.74 84.1 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 176.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.744 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 20.2 mm-40 -61.7 -45.04 95.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.334 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 1.044 HG12 ' HG ' ' A' ' 92' ' ' SER . 14.5 p -70.87 -26.38 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.74 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.55 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 58.9 t -71.88 -27.84 28.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.339 0.59 . . . . 0.0 109.711 173.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 66.0 mttm -85.16 -22.98 28.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.255 175.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.705 HD11 HD23 ' A' ' 72' ' ' LEU . 35.8 mt -76.04 -52.48 10.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.621 175.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 96.7 mttt 49.08 80.54 0.06 Allowed 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.969 0.793 . . . . 0.0 111.798 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.58 -35.26 2.44 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.627 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.445 ' HB2' HD12 ' A' ' 67' ' ' LEU . 23.0 mt-30 -93.95 144.3 25.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -177.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.4 t -77.98 127.19 38.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.394 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.705 HD23 HD11 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -117.56 114.8 23.96 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.609 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 90' ' ' THR . 49.1 m -104.47 120.3 40.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.329 0.585 . . . . 0.0 110.715 -175.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.3 p -115.64 137.39 49.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.459 -177.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.4 ttt -111.23 126.47 54.91 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.732 -174.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.431 ' CD1' HD21 ' A' ' 57' ' ' LEU . 15.8 p90 -156.72 179.0 9.69 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.483 -172.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.654 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 64.7 mtp180 -109.7 114.11 27.43 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.174 0.511 . . . . 0.0 110.877 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.534 ' CD1' HG11 ' A' ' 33' ' ' VAL . 2.9 t80 -92.68 136.56 33.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.068 -176.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.515 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 21.9 ttm180 -79.12 119.16 21.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.484 0.659 . . . . 0.0 111.357 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.5 t -73.94 166.83 22.66 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.193 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.445 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . 48.3 tptt -69.39 -9.45 53.57 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.825 175.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -97.91 7.0 47.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 62.97 32.63 15.46 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.944 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.515 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 43.2 mt-10 -90.68 161.29 15.44 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.62 172.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -124.87 80.56 1.88 Allowed 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.654 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.1 pp -85.26 161.97 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.507 0.67 . . . . 0.0 112.213 -171.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.45 ' CZ2' ' HD2' ' A' ' 77' ' ' ARG . 89.2 m95 -94.2 117.58 30.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.01 -176.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 14.8 ptp -132.49 147.21 52.36 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.579 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -108.59 112.96 25.59 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 173.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.512 ' HA ' ' O ' ' A' ' 109' ' ' THR . 88.6 m -94.09 124.33 38.03 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.68 -178.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.6 m -91.39 120.3 32.13 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 176.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 1.044 ' HG ' HG12 ' A' ' 64' ' ' VAL . 7.9 t -96.33 157.11 16.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.563 0.696 . . . . 0.0 110.973 -173.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -158.54 134.83 9.27 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.306 -1.316 . . . . 0.0 108.256 175.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.493 HG22 HG12 ' A' ' 106' ' ' ILE . 73.9 p -107.45 108.24 19.49 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.115 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.43 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 2.4 t80 -72.33 118.82 15.7 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.45 ' NE2' ' HD3' ' A' ' 68' ' ' LYS . 51.0 mt-30 . . . . . 0 C--N 1.32 -0.705 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.688 -174.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.435 HD11 ' HB ' ' A' ' 94' ' ' THR . 76.7 mt . . . . . 0 N--CA 1.446 -0.656 0 CA-C-O 121.401 0.62 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -73.11 -46.04 53.57 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.852 177.799 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -168.15 157.06 9.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.453 -1.249 . . . . 0.0 109.588 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.493 HG12 HG22 ' A' ' 94' ' ' THR . 66.8 mt -92.57 142.97 12.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 174.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 61.7 mt -111.55 106.42 20.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.9 p -98.0 112.57 24.46 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.183 0.516 . . . . 0.0 111.312 -173.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.512 ' O ' ' HA ' ' A' ' 90' ' ' THR . 47.1 m -86.31 127.65 34.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.449 174.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.675 HD22 HG23 ' A' ' 32' ' ' THR . 5.6 t30 -103.14 117.55 34.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.818 -0.174 . . . . 0.0 110.978 -177.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.3 m -115.66 104.54 11.79 Favored 'General case' 0 N--CA 1.444 -0.747 0 O-C-N 124.244 0.965 . . . . 0.0 108.962 171.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -82.68 122.65 28.42 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.843 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.05 -178.085 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo . . . . . 0 CA--C 1.532 0.375 0 N-CA-C 113.449 0.519 . . . . 0.0 113.449 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.12 22.24 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.583 0.706 . . . . 0.0 110.618 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -133.87 133.71 41.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.354 176.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -133.8 141.22 47.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.226 0.536 . . . . 0.0 111.193 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.1 mt -100.11 132.69 45.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.493 175.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.9 p -136.56 149.25 47.99 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.229 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -109.63 134.84 51.48 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.618 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 1.4 p-80 -142.44 158.57 43.55 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.855 -178.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -74.49 151.89 39.47 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.415 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 20.7 pt -49.93 -26.62 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -166.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -74.24 -10.02 59.19 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.79 7.56 33.55 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.578 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.423 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 30.3 mm -85.25 118.55 32.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 110.577 -0.157 . . . . 0.0 110.577 -173.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -67.26 123.85 21.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 111.421 -176.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 p -107.51 -32.3 7.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.805 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -150.53 132.99 15.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.619 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.6 t -129.55 138.48 54.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.657 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -78.6 149.01 33.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.287 175.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -56.66 -20.64 22.48 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.801 -173.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -62.76 -7.16 4.46 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.901 0.381 . . . . 0.0 111.683 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.9 t -58.68 -37.11 75.34 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 176.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.8 m -66.7 -35.51 74.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.943 -176.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.05 -50.93 14.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.45 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 m -54.53 -48.92 71.4 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.68 ' HB ' ' HA ' ' A' ' 80' ' ' SER . 13.2 m -132.28 -28.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -173.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.55 -20.93 11.9 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 119.521 -1.323 . . . . 0.0 112.826 -177.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.461 ' H ' HG23 ' A' ' 33' ' ' VAL . 16.1 m-85 -71.31 138.91 49.69 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.745 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 65.1 mm-40 -78.41 148.25 73.51 Favored Pre-proline 0 C--N 1.308 -1.211 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 171.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.49 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 88.0 Cg_exo -46.42 -44.85 20.07 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.167 1.911 . . . . 0.0 111.269 177.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -59.11 -38.49 79.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.484 -1.234 . . . . 0.0 111.527 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.745 ' HG3' ' HB2' ' A' ' 36' ' ' GLN . 41.8 mt-10 -67.52 -26.94 66.58 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.916 0.389 . . . . 0.0 110.936 -173.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.6 mt -79.71 -32.5 41.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.818 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 30.9 mt -64.93 108.39 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.513 -177.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.12 -22.92 7.43 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.668 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -108.94 177.9 4.63 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.699 0.761 . . . . 0.0 111.552 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.483 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 30.6 t-20 -110.69 145.95 37.1 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.537 -1.21 . . . . 0.0 109.549 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.7 tt -61.7 -24.4 33.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.289 176.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.6 t -71.73 -25.9 25.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.472 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.483 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 68.9 mm-40 -62.91 -35.25 79.45 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.32 0.581 . . . . 0.0 110.257 177.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -105.82 11.57 31.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.347 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.553 ' SG ' HD13 ' A' ' 57' ' ' LEU . 41.7 t -87.27 132.36 33.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.818 176.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.498 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 30.3 t-80 -45.35 125.78 5.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.741 174.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 50' ' ' HIS . 80.8 Cg_exo -49.78 -29.97 21.68 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.917 3.078 . . . . 0.0 114.316 -171.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -90.08 -5.44 56.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.026 0.441 . . . . 0.0 111.248 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -107.53 -5.75 17.39 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -175.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -61.17 -42.68 99.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.379 -175.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -36.07 79.78 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.8 tp -59.99 -51.67 68.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.173 178.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.553 HD13 ' SG ' ' A' ' 49' ' ' CYS . 13.1 mt -62.32 -44.38 96.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.936 175.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.58 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 70.8 ttt180 -56.57 -49.68 74.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.81 0.338 . . . . 0.0 110.38 -178.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.677 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 21.8 t70 -67.85 -38.98 83.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.742 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.4 p -65.89 -40.12 91.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.699 0.762 . . . . 0.0 110.307 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.598 ' O ' HG21 ' A' ' 65' ' ' VAL . 12.5 m-85 -64.72 -36.67 85.03 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.802 175.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 16.0 mm100 -65.35 -35.16 80.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.481 176.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.677 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 32.5 mm-40 -62.06 -51.51 67.69 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.455 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.97 -21.14 27.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.56 -176.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.598 HG21 ' O ' ' A' ' 61' ' ' PHE . 71.7 t -69.97 -42.7 79.67 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 CA-C-O 121.219 0.533 . . . . 0.0 109.868 176.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 63' ' ' GLN . 13.5 ptmm? -85.67 -18.51 32.97 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.569 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.564 HD13 HD22 ' A' ' 72' ' ' LEU . 47.7 mt -94.81 29.75 2.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.229 175.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.582 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 82.5 mttt -29.58 109.72 0.05 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.1 -19.14 35.43 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.665 175.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -95.35 139.55 31.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.8 0.333 . . . . 0.0 110.803 -177.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.2 t -78.37 117.34 23.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.168 177.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.564 HD22 HD13 ' A' ' 67' ' ' LEU . 1.2 tm? -101.47 115.55 30.77 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -176.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.4 p -93.06 121.03 33.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.699 0.285 . . . . 0.0 110.731 -177.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.1 p -130.57 135.74 59.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.801 0.81 . . . . 0.0 110.319 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 21.3 ttt -114.31 124.3 51.64 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.115 -174.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.451 ' HE1' ' OG1' ' A' ' 90' ' ' THR . 19.7 p90 -148.5 178.38 8.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -176.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.498 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 91.8 mtt180 -103.35 118.58 37.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.88 0.372 . . . . 0.0 110.8 176.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.616 ' CD1' HG13 ' A' ' 33' ' ' VAL . 8.6 t80 -91.75 137.12 32.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.512 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.42 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 6.2 ttm180 -81.34 108.51 15.02 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.233 176.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.694 ' HB3' HD11 ' A' ' 86' ' ' LEU . 90.1 p -63.79 -178.53 0.31 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.699 0.761 . . . . 0.0 112.117 174.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.416 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 21.8 tptm -76.87 -7.43 55.48 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.424 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -96.88 1.68 50.83 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.957 -1.02 . . . . 0.0 108.654 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 66.23 27.88 10.16 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.601 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.408 ' HG2' ' OG ' ' A' ' 80' ' ' SER . 1.2 pt-20 -107.54 152.52 24.13 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 176.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.477 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 52.4 m95 -111.01 101.11 9.69 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.022 0.439 . . . . 0.0 110.753 -171.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.694 HD11 ' HB3' ' A' ' 80' ' ' SER . 0.0 OUTLIER -100.17 159.18 15.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.948 -177.531 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -71.52 124.34 24.44 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.415 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.622 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 2.8 tpp -133.58 124.56 27.1 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.729 174.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -97.87 111.66 23.87 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.451 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 98.3 m -94.37 127.52 40.31 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.196 0.522 . . . . 0.0 110.851 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.8 m -94.96 115.51 27.54 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.127 174.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.426 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 10.4 m -94.05 125.59 38.77 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.55 -174.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.538 ' HE2' ' HD1' ' A' ' 95' ' ' PHE . 60.0 t80 -124.54 135.02 52.83 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 171.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.469 ' HB ' HD13 ' A' ' 103' ' ' ILE . 1.1 p -99.58 110.0 22.47 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.117 0.484 . . . . 0.0 110.478 175.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.538 ' HD1' ' HE2' ' A' ' 93' ' ' PHE . 24.4 t80 -79.53 107.92 12.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.624 -174.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.459 ' HG2' HG12 ' A' ' 103' ' ' ILE . 53.0 mt-30 . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.736 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.545 HD12 ' HG2' ' A' ' 68' ' ' LYS . 71.2 mt . . . . . 0 N--CA 1.448 -0.563 0 CA-C-O 121.256 0.55 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.4 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 1.6 mm-40 -67.42 -49.2 64.78 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.048 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.461 ' HB2' ' O ' ' A' ' 16' ' ' HIS . 2.8 p90 -179.03 -174.59 0.35 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.438 -1.255 . . . . 0.0 109.519 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.618 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 64.8 mt -101.08 139.91 21.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 57.8 mt -113.32 111.99 38.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 6.1 p -112.23 119.53 38.67 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.279 0.561 . . . . 0.0 112.161 -173.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.9 m -88.37 130.03 35.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 170.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.622 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 35.0 m-80 -119.05 113.86 21.6 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.254 -171.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.2 m -112.59 114.11 26.58 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.805 -176.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -82.2 120.71 25.7 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.424 -178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 CA--C 1.538 0.497 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.651 -173.899 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.66 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 34.5 Cg_exo . . . . . 0 CA--C 1.53 0.316 0 N-CA-C 111.841 -0.1 . . . . 0.0 111.841 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 m -88.98 16.12 7.52 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.226 0.536 . . . . 0.0 111.749 -170.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.56 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 18.2 mt-10 -128.49 134.45 48.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 177.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.472 ' CD1' ' HA ' ' A' ' 29' ' ' CYS . 37.8 p90 -133.3 139.37 46.84 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.99 178.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.2 tt -96.67 142.85 13.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.7 t -138.0 143.78 40.78 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.297 0.57 . . . . 0.0 111.025 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -112.53 115.79 29.2 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 172.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.602 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 1.4 p-80 -128.96 162.53 27.37 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.734 0.778 . . . . 0.0 112.214 -172.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.02 146.16 47.84 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.257 -1.338 . . . . 0.0 108.485 177.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.7 pt -50.31 -23.68 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -170.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -79.84 -8.94 59.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.685 0.278 . . . . 0.0 111.222 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.65 11.02 31.78 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 121.003 -0.618 . . . . 0.0 111.973 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 43.5 mm -86.95 123.71 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -174.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -68.61 127.62 33.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.173 0.511 . . . . 0.0 111.26 -177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.2 m -118.11 -40.95 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.995 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -133.27 121.83 23.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.328 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.2 t -131.77 138.71 52.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.743 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -85.73 148.26 25.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.273 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.431 ' CD2' ' HG2' ' A' ' 37' ' ' PRO . 27.9 m170 -56.22 -17.4 7.36 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.66 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 49.0 mtm180 -62.2 -12.42 20.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.496 0.188 . . . . 0.0 111.424 176.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.472 ' HA ' ' CD1' ' A' ' 12' ' ' PHE . 43.8 t -53.01 -34.66 57.33 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.147 0.499 . . . . 0.0 111.615 174.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.418 HG21 ' NE2' ' A' ' 36' ' ' GLN . 48.0 t -65.35 -43.35 94.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.278 -177.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.53 -46.18 64.11 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.462 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.5 HG22 HG13 ' A' ' 33' ' ' VAL . 5.4 m -60.67 -58.02 10.22 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 177.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.5 HG13 HG22 ' A' ' 32' ' ' THR . 33.8 m -134.32 20.03 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -167.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.44 -23.55 1.91 Allowed Glycine 0 CA--C 1.521 0.408 0 N-CA-C 114.679 0.632 . . . . 0.0 114.679 172.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.423 ' CD2' HD21 ' A' ' 40' ' ' LEU . 22.8 m-85 -78.1 150.77 33.64 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 117.347 0.574 . . . . 0.0 110.831 -174.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.425 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 9.8 mm-40 -91.07 144.45 29.99 Favored Pre-proline 0 C--N 1.312 -1.062 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 173.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HB2' ' OE1' ' A' ' 38' ' ' GLN . 89.2 Cg_exo -46.19 -45.87 17.52 Favored 'Trans proline' 0 CA--C 1.519 -0.241 0 C-N-CA 122.319 2.012 . . . . 0.0 112.483 -176.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.515 ' OE1' ' HB2' ' A' ' 37' ' ' PRO . 4.3 mm100 -63.26 -34.45 77.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.108 -176.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.425 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 11.2 mm-40 -67.59 -28.06 67.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.711 -176.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.423 HD21 ' CD2' ' A' ' 35' ' ' TYR . 33.6 mt -80.85 -27.01 36.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.383 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.4 mt -63.88 106.46 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.089 0.471 . . . . 0.0 110.222 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.68 -18.64 9.2 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.656 -176.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.674 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 9.9 mmpt? -105.58 156.84 17.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.026 0.441 . . . . 0.0 110.751 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -94.96 148.3 22.46 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.4 tt -62.29 -23.75 32.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.099 0.476 . . . . 0.0 109.923 174.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.484 HG13 ' HG3' ' A' ' 54' ' ' GLN . 97.7 t -71.48 -28.33 31.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.542 176.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.95 -36.29 76.77 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.499 0.666 . . . . 0.0 110.48 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -109.31 18.92 19.96 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.285 -177.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.2 t -92.84 135.48 34.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.231 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.839 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 37.7 t-80 -45.15 122.39 5.03 Favored Pre-proline 0 C--O 1.221 -0.424 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.026 174.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -49.43 -26.85 12.74 Favored 'Trans proline' 0 N--CA 1.478 0.618 0 C-N-CA 124.021 3.147 . . . . 0.0 114.548 -169.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.7 -4.59 58.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.692 0.282 . . . . 0.0 111.476 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -108.96 0.83 20.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.108 -172.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.484 ' HG3' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -53.13 -49.64 66.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.099 -179.176 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.447 HE21 ' CA ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -73.7 -29.95 62.58 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.163 178.565 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.5 tp -58.72 -49.06 79.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.943 0.401 . . . . 0.0 110.3 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.499 HD21 ' CD1' ' A' ' 76' ' ' PHE . 13.1 mt -66.68 -49.43 66.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.609 175.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.562 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 46.2 ttt180 -54.62 -50.93 66.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -176.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.587 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 16.9 t70 -62.32 -43.38 98.95 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -177.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 55.5 m -71.38 -32.07 68.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.888 -175.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.535 ' O ' HG21 ' A' ' 65' ' ' VAL . 15.7 m-30 -69.85 -32.76 71.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 14.1 mm100 -72.92 -29.22 62.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.992 176.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 81.1 mm-40 -61.34 -47.85 84.03 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.476 177.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.469 HG11 ' HB3' ' A' ' 92' ' ' SER . 7.4 p -71.08 -24.09 24.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.098 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.535 HG21 ' O ' ' A' ' 61' ' ' PHE . 85.8 t -71.88 -25.57 24.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 121.307 0.575 . . . . 0.0 109.679 173.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -82.75 -39.8 21.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.382 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.604 HD11 HD23 ' A' ' 72' ' ' LEU . 63.6 mt -67.57 -53.46 28.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.417 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.705 ' HG2' HD11 ' A' ' 103' ' ' ILE . 99.4 mttt 58.66 92.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.923 0.764 . . . . 0.0 112.001 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.25 -18.26 36.27 Favored Glycine 0 C--N 1.317 -0.509 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.622 176.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.494 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 11.0 mm100 -96.95 142.49 28.86 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.0 p -77.11 127.13 38.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.459 0.647 . . . . 0.0 110.928 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.604 HD23 HD11 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -120.76 113.57 20.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.037 178.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.5 t -101.79 120.5 40.47 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.068 0.461 . . . . 0.0 110.614 -173.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.4 p -121.72 137.23 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 CA-C-O 121.915 0.864 . . . . 0.0 110.579 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 22.3 ttt -113.92 128.55 56.44 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.506 -172.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.499 ' CD1' HD21 ' A' ' 57' ' ' LEU . 20.0 p90 -152.07 179.06 8.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.936 -175.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.839 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 60.2 mtt180 -99.58 116.78 32.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -94.08 129.98 40.42 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.415 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 3.4 ttm180 -77.23 100.2 5.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.945 0.402 . . . . 0.0 110.484 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.463 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 41.7 t -69.8 175.69 4.13 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.931 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -67.01 -15.13 63.53 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -170.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.459 ' HB2' ' OE1' ' A' ' 84' ' ' GLU . 11.8 m-80 -102.23 15.07 30.22 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 69.21 23.31 6.4 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.146 175.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.463 ' OE2' ' HB3' ' A' ' 80' ' ' SER . 0.9 OUTLIER -91.11 155.76 18.4 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.015 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.434 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 79.1 m95 -115.01 84.48 2.09 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.168 0.509 . . . . 0.0 109.66 -176.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.3 pp -87.81 162.02 17.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.969 -174.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -82.88 111.07 18.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.442 0.639 . . . . 0.0 111.103 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.408 ' HB2' ' HE3' ' A' ' 88' ' ' MET . 0.0 OUTLIER -122.26 133.3 54.7 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.554 -179.368 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -113.47 120.95 42.77 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.437 ' CG2' ' HB2' ' A' ' 108' ' ' CYS . 66.2 m -104.75 129.32 53.0 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.791 -177.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.488 ' OG ' ' HB ' ' A' ' 109' ' ' THR . 8.3 p -94.43 126.67 39.85 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.469 ' HB3' HG11 ' A' ' 64' ' ' VAL . 5.0 m -100.59 127.39 46.99 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.784 -173.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -127.54 134.18 49.77 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 170.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.583 ' HB ' HD12 ' A' ' 103' ' ' ILE . 2.2 p -105.56 114.33 28.43 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 120.819 0.342 . . . . 0.0 110.122 176.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -83.94 109.71 17.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.844 -174.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.541 174.587 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.705 HD11 ' HG2' ' A' ' 68' ' ' LYS . 91.4 mt . . . . . 0 N--CA 1.449 -0.483 0 CA-C-O 121.303 0.573 . . . . 0.0 110.047 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -75.66 -41.36 54.19 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -169.8 178.23 4.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.397 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.602 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 57.3 mt -104.26 139.11 26.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.798 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 64.5 mt -115.78 106.82 21.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.437 ' HB2' ' CG2' ' A' ' 90' ' ' THR . 28.0 p -115.1 137.86 51.54 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.978 0.418 . . . . 0.0 111.474 -173.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.488 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 23.2 m -96.45 125.35 40.88 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 170.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.406 ' HB3' ' HE1' ' A' ' 88' ' ' MET . 17.4 m120 -106.12 111.23 23.76 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -174.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.5 m -117.47 126.73 53.11 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.288 -173.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.425 ' HB2' HG21 ' A' ' 32' ' ' THR . 9.3 t-20 -84.43 114.63 22.05 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.616 177.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 C--N 1.321 -0.631 0 CA-C-O 121.324 0.583 . . . . 0.0 111.327 -174.248 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo . . . . . 0 CA--C 1.532 0.387 0 CA-C-O 120.665 0.194 . . . . 0.0 112.401 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.474 ' HB ' ' HB3' ' A' ' 112' ' ' ASN . 39.3 p -89.13 32.86 0.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.217 0.532 . . . . 0.0 111.657 -177.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 110' ' ' ASN . 25.1 tt0 -126.65 133.66 50.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 172.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -146.25 155.46 42.69 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.184 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.454 HG12 HG23 ' A' ' 109' ' ' THR . 57.5 mt -111.3 134.69 52.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.752 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.7 p -136.66 141.33 43.17 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.126 0.489 . . . . 0.0 111.165 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -109.54 126.75 53.89 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.426 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -145.68 150.45 36.32 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.007 -175.384 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -76.25 166.96 22.7 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.4 pt -56.63 -16.6 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 124.633 1.208 . . . . 0.0 114.014 -168.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -83.44 -15.6 49.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.051 0.453 . . . . 0.0 110.327 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.41 10.89 26.54 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.229 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.0 mm -89.49 123.06 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 116.884 0.342 . . . . 0.0 110.922 -171.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.426 ' CE1' ' HB ' ' A' ' 45' ' ' ILE . 88.2 m-85 -72.76 132.55 43.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 111.777 -176.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.1 p -119.76 -20.22 7.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.436 174.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -153.86 133.66 13.05 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.539 174.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.84 138.5 22.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.094 0.473 . . . . 0.0 111.021 177.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -70.3 148.68 48.22 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.334 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.403 ' HA ' ' CG ' ' A' ' 37' ' ' PRO . 70.8 m80 -62.8 -19.51 64.12 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.691 -172.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 -67.14 -6.43 17.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.578 0.228 . . . . 0.0 111.387 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.4 t -55.31 -41.21 72.08 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.067 0.46 . . . . 0.0 111.203 178.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.667 HG23 ' HA ' ' A' ' 36' ' ' GLN . 16.4 t -64.67 -37.37 79.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.196 0.522 . . . . 0.0 109.785 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.71 -50.83 39.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.045 -177.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.521 HG21 ' HB2' ' A' ' 112' ' ' ASN . 30.4 m -59.24 -52.92 63.6 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.572 HG13 ' CD1' ' A' ' 78' ' ' PHE . 35.9 m -125.63 -27.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -169.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.55 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 120.75 -20.71 8.65 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 118.973 -1.584 . . . . 0.0 113.452 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.476 ' H ' HG22 ' A' ' 33' ' ' VAL . 22.5 m-85 -81.19 136.45 35.86 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 120.802 0.334 . . . . 0.0 110.699 -178.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.719 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 44.7 mm-40 -76.48 149.21 81.13 Favored Pre-proline 0 C--N 1.311 -1.1 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 173.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.504 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 85.4 Cg_exo -48.26 -42.91 33.02 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.07 1.847 . . . . 0.0 110.949 175.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -55.78 -42.23 75.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.719 ' HG3' ' HB2' ' A' ' 36' ' ' GLN . 40.0 mt-10 -69.99 -23.96 63.23 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.329 -171.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 66.2 mt -86.13 -26.02 25.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.501 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 64.3 mt -62.92 106.78 0.87 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.261 0.553 . . . . 0.0 111.178 -176.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.2 -11.34 33.87 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.984 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.726 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 10.3 mmpt? -105.58 160.87 14.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.836 0.351 . . . . 0.0 110.409 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.502 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 20.9 t-20 -96.52 138.95 33.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.317 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.426 ' HB ' ' CE1' ' A' ' 22' ' ' PHE . 14.5 tt -62.32 -24.69 35.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.262 174.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.4 t -71.13 -25.74 26.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.475 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.502 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 19.2 mm-40 -67.88 -39.13 83.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.311 0.577 . . . . 0.0 110.643 177.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -100.15 19.66 16.01 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.218 -178.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.2 t -96.24 142.47 28.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.452 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.656 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 35.1 t-80 -47.38 127.62 9.96 Favored Pre-proline 0 C--N 1.332 -0.166 0 O-C-N 123.783 0.677 . . . . 0.0 109.809 172.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.463 ' HD2' ' CD2' ' A' ' 50' ' ' HIS . 7.3 Cg_endo -48.56 -44.52 30.23 Favored 'Trans proline' 0 N--CA 1.473 0.315 0 C-N-CA 123.559 2.84 . . . . 0.0 113.572 -169.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -77.08 -5.11 47.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.423 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.418 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 2.7 m-20 -110.74 -5.04 15.06 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -175.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -65.09 -36.48 84.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.127 -173.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -75.4 -29.93 59.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.949 0.404 . . . . 0.0 110.253 174.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.42 HD21 HG22 ' A' ' 74' ' ' VAL . 3.0 tt -63.28 -40.38 97.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.385 177.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.424 HD21 ' HA ' ' A' ' 57' ' ' LEU . 15.1 mt -67.32 -45.36 76.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.99 175.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.484 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 59.3 mtt180 -58.68 -47.02 85.94 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.704 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.755 ' HA ' HE21 ' A' ' 62' ' ' GLN . 38.9 t70 -63.93 -43.79 94.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.443 -177.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.5 p -71.19 -47.53 56.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.377 0.608 . . . . 0.0 111.27 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.622 ' O ' HG12 ' A' ' 64' ' ' VAL . 9.1 m-85 -64.78 -36.55 84.69 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.904 -177.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.755 HE21 ' HA ' ' A' ' 59' ' ' ASP . 27.8 pt20 -73.75 -25.99 60.44 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.069 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.451 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 66.2 mt-30 -76.65 -28.67 56.11 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.651 177.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 61' ' ' PHE . 8.7 p -71.63 -26.68 26.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 119.396 -0.922 . . . . 0.0 109.289 173.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.795 ' HA ' HG23 ' A' ' 94' ' ' THR . 59.5 t -72.12 -28.63 29.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 121.243 0.544 . . . . 0.0 109.587 172.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 55.4 mtpt -78.8 -38.27 38.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.651 175.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.531 HD11 HD22 ' A' ' 72' ' ' LEU . 69.5 mt -67.84 -52.06 41.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.084 178.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.736 ' HG2' HD11 ' A' ' 103' ' ' ILE . 89.3 mttt 62.36 99.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.814 0.696 . . . . 0.0 112.124 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.97 -11.44 65.96 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.773 176.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.512 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 51.0 tp60 -98.06 138.62 35.1 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.548 ' HA ' ' O ' ' A' ' 92' ' ' SER . 96.8 t -76.8 118.76 23.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.216 0.531 . . . . 0.0 111.086 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.531 HD22 HD11 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -99.67 114.13 27.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.421 -0.808 . . . . 0.0 108.92 -179.719 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.9 p -96.45 120.91 37.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.173 0.511 . . . . 0.0 110.508 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.42 HG22 HD21 ' A' ' 56' ' ' LEU . 14.7 p -138.74 138.06 42.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.89 0.853 . . . . 0.0 110.695 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 15.2 ttt -113.17 137.31 51.65 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.147 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.468 ' HE1' ' HG1' ' A' ' 90' ' ' THR . 15.1 p90 -161.7 178.6 8.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.995 -176.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.656 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 13.6 mtp180 -107.47 116.29 31.68 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.172 0.511 . . . . 0.0 110.46 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CD1' HG13 ' A' ' 33' ' ' VAL . 14.0 t80 -89.46 145.5 25.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.055 -178.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.639 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 47.6 ttp180 -84.03 110.22 18.28 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.67 0.748 . . . . 0.0 111.553 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.582 ' HB3' ' HB2' ' A' ' 84' ' ' GLU . 18.8 t -54.87 159.85 2.16 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.051 170.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.55 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 22.4 tptm -66.26 -9.88 36.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.716 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -102.99 13.26 34.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 64.71 45.61 3.38 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.107 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.639 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 26.1 mt-10 -108.94 160.97 15.58 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.349 177.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.404 ' CZ3' ' HB2' ' A' ' 79' ' ' ARG . 60.4 m95 -113.09 95.06 5.19 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 120.843 0.354 . . . . 0.0 110.109 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.542 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.3 pp -98.19 159.71 14.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.134 0.492 . . . . 0.0 111.803 -177.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -90.32 127.02 36.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.799 -174.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.8 ptp -143.34 152.02 41.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.444 171.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -115.97 117.51 30.35 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 174.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.468 ' HG1' ' HE1' ' A' ' 76' ' ' PHE . 89.2 m -100.86 135.28 42.56 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.181 -174.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.585 ' OG ' ' HB ' ' A' ' 109' ' ' THR . 33.4 p -104.03 121.17 42.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.548 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 3.8 m -100.68 137.29 39.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.334 -173.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -130.31 143.27 50.67 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 171.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.795 HG23 ' HA ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -111.24 119.03 37.56 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 120.834 0.35 . . . . 0.0 110.563 177.19 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -77.52 100.07 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.729 -174.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.659 174.271 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.736 HD11 ' HG2' ' A' ' 68' ' ' LYS . 48.3 mm . . . . . 0 CA--C 1.517 -0.302 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -65.96 -50.53 64.02 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.77 0.795 . . . . 0.0 109.269 174.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -174.95 177.23 2.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 113.955 -1.475 . . . . 0.0 108.83 -176.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.426 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 52.3 mt -96.89 145.23 9.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 58.6 mt -120.69 106.75 19.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.407 ' HB2' ' CG2' ' A' ' 90' ' ' THR . 1.8 p -105.08 113.13 26.54 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.27 0.557 . . . . 0.0 111.148 -174.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.585 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 8.4 m -85.74 134.68 33.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.855 174.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.41 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 0.4 OUTLIER -110.81 131.96 54.61 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.532 -171.671 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 90.5 m -126.1 109.69 12.66 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.84 172.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.521 ' HB2' HG21 ' A' ' 32' ' ' THR . 2.6 t-20 -82.89 119.47 24.44 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.142 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.206 -175.922 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo . . . . . 0 CA--C 1.532 0.394 0 CA-C-O 121.062 0.359 . . . . 0.0 112.701 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.42 ' HB ' ' HB3' ' A' ' 112' ' ' ASN . 0.8 OUTLIER -87.69 30.26 0.83 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.258 -176.662 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.574 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 50.3 mt-10 -132.46 134.26 44.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -131.31 151.47 51.47 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.652 176.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.4 mt -97.72 118.59 44.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.281 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.5 p -115.33 121.36 42.59 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.157 0.503 . . . . 0.0 110.358 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.53 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 29.9 mtm180 -102.49 113.23 26.4 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 175.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.402 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -131.5 147.29 52.53 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.596 -172.389 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -68.49 153.8 43.06 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.3 pt -51.07 -24.02 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 124.312 1.008 . . . . 0.0 113.39 -167.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -67.25 -19.89 65.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.076 0.465 . . . . 0.0 111.058 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.62 2.53 30.74 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.018 -173.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.0 mm -82.52 122.46 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 111.51 0.189 . . . . 0.0 111.51 -171.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.486 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 91.5 m-85 -76.28 120.04 20.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.748 0.309 . . . . 0.0 111.067 -177.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.2 t -118.07 -13.76 9.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.512 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.53 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 82.5 t80 -147.39 118.02 7.52 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 173.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.563 HG21 ' HB3' ' A' ' 40' ' ' LEU . 94.2 t -122.33 131.71 72.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.918 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -74.29 147.68 42.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.692 174.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.483 ' HA ' ' HG3' ' A' ' 37' ' ' PRO . 31.3 m80 -66.84 -15.49 63.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.231 -168.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.7 mtt85 -70.79 -3.89 21.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.948 0.404 . . . . 0.0 111.107 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.2 p -62.87 -35.76 81.06 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.029 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.557 HG13 ' HA ' ' A' ' 36' ' ' GLN . 9.7 m -59.99 -40.29 82.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.541 -179.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.41 -50.51 15.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.427 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.472 HG23 ' HB2' ' A' ' 112' ' ' ASN . 23.4 m -52.19 -54.45 30.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.783 177.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.605 HG12 ' CD1' ' A' ' 78' ' ' PHE . 17.1 m -127.64 -28.67 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -171.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.541 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 117.49 -21.71 10.53 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 119.413 -1.375 . . . . 0.0 113.212 -177.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.457 ' H ' HG21 ' A' ' 33' ' ' VAL . 22.2 m-85 -71.64 142.61 49.93 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.557 ' HA ' HG13 ' A' ' 30' ' ' VAL . 5.0 mm100 -86.45 161.12 49.45 Favored Pre-proline 0 C--N 1.312 -1.058 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 172.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.718 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 72.6 Cg_exo -49.42 -50.48 12.91 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.529 1.486 . . . . 0.0 110.04 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -58.05 -46.14 85.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.301 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.482 ' OE1' ' HG2' ' A' ' 36' ' ' GLN . 66.6 mt-10 -64.86 -26.74 68.46 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.613 0.244 . . . . 0.0 111.291 -174.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.563 ' HB3' HG21 ' A' ' 25' ' ' VAL . 18.7 tp -88.94 -25.95 21.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.855 0.359 . . . . 0.0 110.75 -177.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 88.7 mt -62.25 121.47 13.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.397 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.63 -5.84 40.88 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.946 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.507 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 9.0 mmpt? -108.69 156.52 19.48 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.512 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 31.1 t-20 -97.46 144.97 26.66 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 175.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.486 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 14.2 tt -60.71 -32.77 52.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 177.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.454 ' HA ' ' CB ' ' A' ' 49' ' ' CYS . 9.7 p -68.19 -22.7 27.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 120.761 0.315 . . . . 0.0 111.195 177.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.512 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 22.7 mm-40 -71.83 -31.58 66.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.383 0.611 . . . . 0.0 110.401 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -106.57 19.48 20.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.52 175.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.531 ' HG ' ' CD2' ' A' ' 57' ' ' LEU . 36.0 t -93.97 132.13 38.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.445 177.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 16.4 t-80 -48.17 126.89 12.1 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.211 175.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.23 -29.17 28.52 Favored 'Trans proline' 0 N--CA 1.479 0.647 0 C-N-CA 123.949 3.099 . . . . 0.0 114.372 -171.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -84.22 -8.49 59.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.06 0.457 . . . . 0.0 110.717 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.574 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 4.5 m-20 -120.82 1.32 10.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.71 -170.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.465 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 87.8 mt-30 -60.29 -42.01 94.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.242 -177.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.483 ' OE1' ' HD2' ' A' ' 58' ' ' ARG . 13.4 mm100 -73.34 -28.36 62.02 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.856 176.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.574 ' HB3' ' O ' ' A' ' 53' ' ' ASP . 17.1 tp -58.41 -43.83 88.79 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.531 ' CD2' ' HG ' ' A' ' 49' ' ' CYS . 4.3 mm? -62.41 -54.45 40.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.917 177.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.556 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 69.3 mtt180 -60.52 -46.71 89.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.413 -175.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.631 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 33.3 t70 -60.37 -46.2 90.81 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.189 0.519 . . . . 0.0 110.548 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.0 m -67.12 -35.27 79.39 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.659 -176.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.526 ' O ' HG23 ' A' ' 65' ' ' VAL . 14.2 m-30 -70.3 -32.11 69.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.161 175.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 84.3 mm-40 -67.11 -39.31 86.68 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.631 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 73.0 mm-40 -65.55 -42.89 91.36 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.294 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.874 HG11 ' HG ' ' A' ' 92' ' ' SER . 11.6 p -70.97 -25.13 25.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.83 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 61' ' ' PHE . 74.4 t -72.71 -29.29 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.384 0.611 . . . . 0.0 109.631 173.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 63.4 mttm -76.89 -29.46 55.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.836 173.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.809 ' HB3' ' HB2' ' A' ' 70' ' ' GLN . 37.9 mt -74.78 -58.16 3.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.191 178.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 99.0 mttt 58.78 98.28 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.8 0.688 . . . . 0.0 111.635 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.71 -20.05 47.69 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.529 -0.844 . . . . 0.0 112.607 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.809 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 2.8 mp0 -87.86 134.14 33.76 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.5 t -76.84 116.02 19.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.2 tt -116.43 130.74 56.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.962 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.9 m -105.18 122.65 46.35 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.856 0.36 . . . . 0.0 111.299 -174.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.7 p -121.59 134.98 63.2 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.78 0 CA-C-O 121.588 0.709 . . . . 0.0 109.789 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 27.6 ttt -119.67 124.32 45.98 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.39 -173.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.483 ' CG ' HD21 ' A' ' 57' ' ' LEU . 10.4 p90 -151.29 179.94 7.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.064 -170.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.533 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 76.6 mtp180 -106.5 119.52 39.49 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.79 0.329 . . . . 0.0 110.523 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.605 ' CD1' HG12 ' A' ' 33' ' ' VAL . 20.4 t80 -96.71 144.11 27.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.037 -176.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 3.9 ttm180 -83.07 104.67 13.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.102 0.477 . . . . 0.0 110.502 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.551 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -65.25 173.22 2.63 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.001 174.722 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.541 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 18.3 tptm -73.17 -3.35 26.08 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.536 0.684 . . . . 0.0 110.916 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.482 ' OD1' ' HB2' ' A' ' 80' ' ' SER . 18.4 p30 -103.52 7.73 37.77 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.97 176.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 68.54 14.97 9.14 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 114.249 -1.342 . . . . 0.0 112.205 176.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 56.3 mm-40 -88.25 166.47 14.31 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 171.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.578 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 37.3 m95 -124.19 87.45 2.73 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -173.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -89.67 160.8 16.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.352 0.596 . . . . 0.0 111.921 -173.866 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -83.09 121.39 26.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.391 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 11.0 ptp -132.16 143.59 50.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.248 0.547 . . . . 0.0 110.715 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -99.35 110.11 22.65 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.839 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.507 ' HA ' ' O ' ' A' ' 109' ' ' THR . 49.0 m -101.69 125.54 48.37 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.838 0.351 . . . . 0.0 111.093 -177.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.547 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 14.6 p -94.87 130.82 41.31 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.874 ' HG ' HG11 ' A' ' 64' ' ' VAL . 8.6 t -104.88 155.94 18.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.498 0.666 . . . . 0.0 110.936 -176.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.545 ' HE2' ' HD1' ' A' ' 95' ' ' PHE . 45.1 t80 -159.7 134.57 7.94 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.332 -1.304 . . . . 0.0 108.601 177.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.652 ' HB ' HD13 ' A' ' 103' ' ' ILE . 75.5 p -96.74 110.56 23.0 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.545 ' HD1' ' HE2' ' A' ' 93' ' ' PHE . 33.4 t80 -72.6 102.83 3.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.151 0.501 . . . . 0.0 110.38 -175.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.016 -179.402 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.652 HD13 ' HB ' ' A' ' 94' ' ' THR . 40.7 mm . . . . . 0 CA--C 1.513 -0.472 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -61.86 -42.48 99.11 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.706 0.765 . . . . 0.0 109.698 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -178.97 176.86 0.87 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.958 -1.474 . . . . 0.0 109.099 -175.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.402 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 56.1 mt -98.71 140.6 18.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 175.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 57.3 mt -114.65 107.0 21.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' A' ' 91' ' ' SER . 89.2 m -112.81 135.29 53.72 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.207 0.527 . . . . 0.0 111.78 -175.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.507 ' O ' ' HA ' ' A' ' 90' ' ' THR . 52.8 m -99.65 130.64 45.89 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 170.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.574 ' O ' ' HA ' ' A' ' 11' ' ' GLU . 16.7 m120 -108.63 110.28 21.69 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -175.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.559 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 81.0 m -106.71 105.15 15.04 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.096 -176.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.472 ' HB2' HG23 ' A' ' 32' ' ' THR . 1.9 t-20 -74.54 116.27 15.03 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.9 t . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.255 -176.389 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 33.5 Cg_exo . . . . . 0 CA--C 1.533 0.429 0 CA-C-O 120.715 0.215 . . . . 0.0 112.588 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 p -86.09 17.6 3.5 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -173.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.865 ' HG2' ' HA ' ' A' ' 111' ' ' THR . 45.7 mt-10 -124.77 133.48 53.13 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 173.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -131.69 154.96 48.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.894 0.378 . . . . 0.0 110.512 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.4 mt -99.44 120.1 48.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.736 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.5 p -106.17 113.65 27.3 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 121.471 0.653 . . . . 0.0 110.305 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.531 ' HB3' ' HB3' ' A' ' 24' ' ' PHE . 38.0 ttt180 -97.01 103.91 15.88 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 178.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -135.91 156.73 48.32 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.361 0.601 . . . . 0.0 112.38 -168.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -85.26 160.05 19.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.269 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.476 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 48.3 pt -57.63 -15.69 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -167.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -83.45 -2.23 55.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.158 0.504 . . . . 0.0 110.236 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 44' ' ' ASN . . . 93.18 10.29 59.76 Favored Glycine 0 N--CA 1.442 -0.962 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -178.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.7 mm -82.63 117.72 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 O-C-N 123.528 0.193 . . . . 0.0 110.692 -174.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.415 ' CD2' ' HG ' ' A' ' 40' ' ' LEU . 97.1 m-85 -75.56 113.4 12.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.641 0.258 . . . . 0.0 110.463 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.1 p -97.65 -32.68 11.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.662 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.531 ' HB3' ' HB3' ' A' ' 15' ' ' ARG . 87.1 t80 -139.77 124.39 18.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.348 175.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.6 t -124.89 133.45 69.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.058 -178.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -73.5 147.76 43.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.375 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.472 ' HA ' ' HG3' ' A' ' 37' ' ' PRO . 59.6 m80 -60.35 -17.5 43.72 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -173.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.527 ' HD2' ' O ' ' A' ' 11' ' ' GLU . 67.5 mtm180 -68.15 -7.26 28.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.635 0.255 . . . . 0.0 111.502 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.6 p -57.5 -34.69 69.34 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.171 0.51 . . . . 0.0 111.313 176.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.674 HG12 ' HA ' ' A' ' 36' ' ' GLN . 4.7 m -66.58 -34.91 73.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.258 -178.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.04 -51.38 9.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.093 -176.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.417 HG23 ' HB2' ' A' ' 112' ' ' ASN . 24.5 m -53.78 -47.28 70.93 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 178.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.702 HG12 ' CD1' ' A' ' 78' ' ' PHE . 16.6 m -131.18 -34.01 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -173.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.2 -11.54 9.85 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 119.158 -1.496 . . . . 0.0 113.812 -177.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.448 ' H ' HG21 ' A' ' 33' ' ' VAL . 24.2 m-85 -82.47 137.27 34.71 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 117.444 0.622 . . . . 0.0 110.019 178.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.674 ' HA ' HG12 ' A' ' 30' ' ' VAL . 4.3 mm100 -83.73 154.83 65.19 Favored Pre-proline 0 C--N 1.314 -0.952 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 177.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.627 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 84.7 Cg_exo -46.99 -51.41 9.34 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.687 2.258 . . . . 0.0 112.176 -174.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -64.79 -37.46 87.69 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.707 -176.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -68.01 -26.39 65.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.947 0.404 . . . . 0.0 110.654 -174.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.415 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 18.3 tp -86.18 -27.23 24.67 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.348 -178.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 68.2 mt -62.3 116.37 4.98 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.78 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.4 -6.68 36.42 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.596 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.729 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -103.09 156.09 17.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.77 0.319 . . . . 0.0 110.591 177.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.584 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 10.0 m120 -89.72 144.5 25.93 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 174.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.8 tt -62.82 -20.48 25.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.429 173.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.464 HG11 ' HG2' ' A' ' 54' ' ' GLN . 61.6 t -76.75 -29.28 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.667 179.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.584 ' HG2' ' HB2' ' A' ' 44' ' ' ASN . 17.0 mm-40 -62.79 -31.19 72.11 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.581 0.705 . . . . 0.0 110.093 176.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -109.21 21.3 17.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.778 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.536 ' SG ' HD12 ' A' ' 57' ' ' LEU . 35.0 t -99.21 131.79 44.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.971 176.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.505 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 19.1 t-80 -44.98 122.46 4.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.82 175.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.422 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 76.7 Cg_exo -51.87 -24.34 18.52 Favored 'Trans proline' 0 N--CA 1.477 0.505 0 C-N-CA 123.662 2.908 . . . . 0.0 114.258 -172.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -93.84 -5.08 48.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.927 0.394 . . . . 0.0 110.912 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -112.27 3.77 17.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -173.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.464 ' HG2' HG11 ' A' ' 46' ' ' VAL . 66.1 mt-30 -67.02 -43.17 83.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.787 -173.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -72.07 -29.93 64.63 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.3 tp -59.12 -47.94 83.41 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.766 175.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.536 HD12 ' SG ' ' A' ' 49' ' ' CYS . 12.7 mt -66.33 -47.96 71.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.846 174.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.46 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 68.1 ttt180 -53.4 -55.53 24.27 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.452 0.47 . . . . 0.0 110.954 -176.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.64 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 21.4 t70 -56.27 -46.72 79.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.326 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.3 m -69.2 -31.65 70.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.213 -174.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.48 ' O ' HG21 ' A' ' 65' ' ' VAL . 15.0 m-30 -70.89 -33.3 70.45 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 175.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 18.0 mm-40 -69.14 -39.64 78.72 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.689 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 83.5 mm-40 -58.78 -47.89 83.15 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.588 178.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.506 HG22 ' HB2' ' A' ' 92' ' ' SER . 9.1 p -71.33 -20.6 21.33 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.576 -177.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 61' ' ' PHE . 54.6 t -71.5 -26.2 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.83 0.824 . . . . 0.0 109.446 171.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -87.66 -55.92 3.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.156 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 3.9 pp -90.31 9.15 29.94 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -172.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 64' ' ' VAL . 0.2 OUTLIER -42.52 140.45 1.25 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.849 173.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.17 -32.0 7.21 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 108.499 -1.84 . . . . 0.0 108.499 -166.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -105.5 139.87 39.46 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 169.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.4 t -76.58 123.8 33.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.956 0.408 . . . . 0.0 110.045 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.448 HD22 HD11 ' A' ' 67' ' ' LEU . 1.6 tm? -103.93 116.69 32.72 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -176.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.407 ' HB3' ' HD2' ' A' ' 89' ' ' ARG . 27.6 m -100.64 120.83 40.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.825 0.345 . . . . 0.0 110.186 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.7 p -121.84 137.26 56.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 121.547 0.689 . . . . 0.0 110.231 178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.7 ttt -109.46 132.81 53.79 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.943 -175.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.48 ' HE1' ' OG1' ' A' ' 90' ' ' THR . 14.6 p90 -160.16 178.21 9.89 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 123.407 0.442 . . . . 0.0 109.921 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.604 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 51.3 mtp180 -108.1 117.97 35.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.903 0.382 . . . . 0.0 110.547 -179.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.702 ' CD1' HG12 ' A' ' 33' ' ' VAL . 13.0 t80 -94.82 147.79 22.98 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.843 -175.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -83.05 105.66 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.202 0.525 . . . . 0.0 111.322 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.421 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 34.3 t -58.46 161.21 4.65 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.529 168.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -65.21 -10.95 35.86 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.262 0.553 . . . . 0.0 110.677 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -97.74 7.79 45.8 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 65.94 32.64 8.39 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -99.18 156.28 17.04 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.087 -0.96 . . . . 0.0 108.891 173.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -119.63 94.52 4.43 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 121.157 0.503 . . . . 0.0 110.153 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.604 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.7 pp -100.37 168.61 9.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.376 -174.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -89.56 130.67 35.84 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.608 -176.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.44 ' HA ' HG21 ' A' ' 113' ' ' VAL . 10.3 ptp -140.66 139.39 34.8 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.019 0.438 . . . . 0.0 110.873 169.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.407 ' HD2' ' HB3' ' A' ' 73' ' ' SER . 10.1 ttp180 -95.64 115.06 26.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.177 175.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.48 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 58.8 m -96.44 125.08 40.68 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.918 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.545 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 19.2 m -97.09 122.09 39.71 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 176.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.506 ' HB2' HG22 ' A' ' 64' ' ' VAL . 2.5 m -111.84 144.5 41.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.317 0.579 . . . . 0.0 112.115 -172.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.477 ' CE1' ' HA ' ' A' ' 95' ' ' PHE . 16.7 t80 -145.73 134.65 22.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.56 168.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.488 ' HB ' HD13 ' A' ' 103' ' ' ILE . 21.7 p -98.87 121.37 40.74 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.477 ' HA ' ' CE1' ' A' ' 93' ' ' PHE . 4.2 t80 -76.9 104.12 7.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.169 0.509 . . . . 0.0 110.213 -174.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.413 ' NE2' ' HE2' ' A' ' 68' ' ' LYS . 19.1 mt-30 . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.398 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.488 HD13 ' HB ' ' A' ' 94' ' ' THR . 77.9 mt . . . . . 0 CA--C 1.507 -0.685 0 CA-C-O 121.696 0.76 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 8.4 mt-10 -73.34 -53.13 11.52 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.042 -1.435 . . . . 0.0 109.576 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -167.69 -176.39 3.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.194 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 45.3 mt -113.77 143.4 23.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.692 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.0 mt -120.32 106.79 19.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.545 ' HA ' ' O ' ' A' ' 91' ' ' SER . 98.3 m -118.47 136.84 53.56 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -174.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 32.5 m -98.59 137.47 37.18 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 170.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -113.23 110.65 20.73 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.865 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 80.9 m -103.99 116.29 31.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.92 -176.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.417 ' HB2' HG23 ' A' ' 32' ' ' THR . 3.1 t-20 -74.99 109.59 8.58 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.39 -0.966 . . . . 0.0 108.39 176.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.44 HG21 ' HA ' ' A' ' 88' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.866 -172.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.518 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 32.6 Cg_exo . . . . . 0 C--O 1.231 0.133 0 N-CA-C 111.672 -0.165 . . . . 0.0 111.672 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.15 23.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.127 0.489 . . . . 0.0 111.904 -176.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.609 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 2.5 tm-20 -128.26 133.42 48.79 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 174.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -138.95 139.15 37.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.175 0.512 . . . . 0.0 110.841 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.0 tt -96.92 144.4 10.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.375 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.7 t -145.17 143.22 30.21 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.27 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 15' ' ' ARG . 48.6 mtm105 -108.14 131.21 54.88 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 174.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.647 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 1.4 p-80 -138.59 157.89 45.29 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 119.781 -0.768 . . . . 0.0 112.007 -176.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.94 148.18 52.28 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.998 -1.001 . . . . 0.0 108.619 175.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.5 pt -51.83 -26.21 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 O-C-N 124.306 1.004 . . . . 0.0 113.708 -168.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -78.68 -8.11 58.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.458 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.16 15.98 18.02 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.656 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.4 mm -91.45 118.36 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.919 0.359 . . . . 0.0 110.427 -175.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 40' ' ' LEU . 72.1 m-85 -62.09 130.6 46.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.021 0.439 . . . . 0.0 111.688 -177.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 m -114.08 -40.36 3.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.279 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -147.72 133.77 19.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.425 ' CG1' ' HB2' ' A' ' 29' ' ' CYS . 98.1 t -129.36 136.79 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.162 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -75.91 149.27 37.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.314 0.578 . . . . 0.0 110.268 174.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -57.99 -17.81 19.76 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.126 -0.943 . . . . 0.0 112.91 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.609 ' HD3' ' O ' ' A' ' 11' ' ' GLU . 98.5 mtt180 -61.25 -14.78 28.6 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.099 0.249 . . . . 0.0 111.359 176.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.425 ' HB2' ' CG1' ' A' ' 25' ' ' VAL . 43.3 t -50.05 -43.82 51.27 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.393 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.5 m -65.79 -27.86 42.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 111.042 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.68 -52.11 9.51 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.524 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 m -63.47 -52.1 62.79 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 80' ' ' SER . 28.0 m -127.68 10.11 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -168.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.05 -28.97 1.89 Allowed Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.292 -0.956 . . . . 0.0 113.824 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.402 ' HE2' ' HB3' ' A' ' 48' ' ' PHE . 12.6 m-85 -71.17 142.31 50.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.234 0.54 . . . . 0.0 111.355 -176.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.472 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 4.8 mm100 -83.86 146.63 49.62 Favored Pre-proline 0 C--N 1.315 -0.933 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.559 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 82.6 Cg_exo -45.66 -42.72 18.97 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 122.202 1.935 . . . . 0.0 112.093 -179.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -56.43 -40.91 75.55 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.7 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.472 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 34.8 mm-40 -62.98 -27.22 69.26 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.223 0.535 . . . . 0.0 111.125 -171.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.578 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 89.0 mt -89.17 -31.16 18.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.656 -175.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 53.7 mt -61.81 112.51 2.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.821 -172.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.91 -8.85 33.97 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.227 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.425 ' HE3' ' HB3' ' A' ' 43' ' ' LYS . 22.8 mtpp -118.12 165.34 13.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.763 0.316 . . . . 0.0 110.603 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.559 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 5.3 t-20 -87.65 144.06 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.05 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.581 HG12 ' SG ' ' A' ' 49' ' ' CYS . 12.2 tt -57.62 -38.6 65.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.439 174.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.1 -30.09 45.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.356 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.559 ' HG3' ' HB3' ' A' ' 44' ' ' ASN . 39.5 mt-10 -65.02 -19.6 66.08 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.124 0.487 . . . . 0.0 110.499 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.437 ' HD1' HH21 ' A' ' 79' ' ' ARG . 65.5 m-85 -116.0 14.83 16.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.254 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.581 ' SG ' HG12 ' A' ' 45' ' ' ILE . 88.9 m -100.4 148.06 25.14 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.384 178.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.568 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 40.8 t-80 -49.28 128.46 16.75 Favored Pre-proline 0 N--CA 1.465 0.302 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.16 175.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 50' ' ' HIS . 74.6 Cg_exo -51.91 -34.46 56.02 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 124.065 3.177 . . . . 0.0 114.17 -174.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -84.2 -7.07 59.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.956 0.408 . . . . 0.0 110.871 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -111.39 -8.89 14.28 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -173.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' A' ' 50' ' ' HIS . 97.9 mt-30 -66.24 -34.11 77.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.741 -175.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.477 ' O ' ' HB3' ' A' ' 58' ' ' ARG . 10.3 tm0? -77.2 -37.23 53.92 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.0 tp -59.6 -47.96 83.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.305 177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.548 HD11 ' CD2' ' A' ' 76' ' ' PHE . 62.3 mt -62.84 -34.43 77.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.211 177.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.64 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 49.8 ttt180 -55.84 -54.95 38.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.671 175.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.561 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 19.0 t70 -68.63 -39.92 80.56 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.497 0.184 . . . . 0.0 111.497 -176.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.475 ' OG ' ' HA ' ' A' ' 57' ' ' LEU . 6.1 p -67.79 -44.21 77.91 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.318 0.58 . . . . 0.0 111.289 -175.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.499 ' O ' HG22 ' A' ' 65' ' ' VAL . 5.2 m-85 -59.33 -36.18 75.21 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.822 175.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.64 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 87.3 mm-40 -67.85 -35.46 78.6 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.59 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.565 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 40.0 mm-40 -57.31 -51.84 67.74 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.147 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.49 HG13 ' HB3' ' A' ' 92' ' ' SER . 12.2 p -66.04 -31.08 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.037 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.518 ' HA ' HG22 ' A' ' 94' ' ' THR . 78.1 t -68.71 -34.99 67.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.219 0.533 . . . . 0.0 110.195 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 16.3 ptpt -88.05 -17.72 30.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.112 177.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 75.4 mt -76.05 -52.75 9.52 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 173.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 98.0 mttt 62.54 97.98 0.03 OUTLIER 'General case' 0 C--O 1.235 0.339 0 O-C-N 123.844 0.715 . . . . 0.0 112.601 175.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.88 -18.05 50.96 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.473 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -90.96 129.75 36.95 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.8 p -76.83 121.44 29.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.57 ' HB3' ' HB2' ' A' ' 92' ' ' SER . 15.4 tp -106.12 144.28 33.06 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.374 -174.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.413 ' HB3' ' HD3' ' A' ' 89' ' ' ARG . 25.2 m -111.4 121.32 44.91 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.891 0.377 . . . . 0.0 111.044 175.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.9 p -129.54 132.94 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.59 0 CA-C-O 121.611 0.72 . . . . 0.0 109.673 173.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.9 ttt -109.55 124.0 50.37 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.924 -175.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.548 ' CD2' HD11 ' A' ' 57' ' ' LEU . 18.8 p90 -146.46 178.11 8.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.031 -175.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.615 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 38.9 mtm180 -108.13 114.36 28.2 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 176.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.487 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 4.9 t80 -83.98 147.31 27.52 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.722 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 54.0 ttp180 -88.93 105.59 17.87 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.097 178.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.622 ' HB3' ' HB2' ' A' ' 84' ' ' GLU . 30.1 t -58.17 167.29 1.33 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.203 173.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -67.3 -9.52 41.71 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.603 -176.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -103.83 13.46 32.87 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 66.08 38.12 4.92 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 114.154 -1.385 . . . . 0.0 110.597 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.722 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 20.0 mt-10 -94.25 158.5 15.56 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.638 -1.164 . . . . 0.0 109.601 177.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.513 ' CZ3' ' HA ' ' A' ' 50' ' ' HIS . 31.0 m95 -117.6 83.26 1.96 Allowed 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 120.763 0.316 . . . . 0.0 110.387 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.787 HD13 ' HE1' ' A' ' 88' ' ' MET . 0.3 OUTLIER -92.82 166.01 12.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.08 -178.244 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -101.01 122.46 43.57 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -170.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.787 ' HE1' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -136.19 147.98 47.91 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.159 0.504 . . . . 0.0 110.57 172.901 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.413 ' HD3' ' HB3' ' A' ' 73' ' ' SER . 37.1 ttm180 -106.85 117.27 33.62 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.08 174.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.509 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 86.9 m -94.67 133.53 38.23 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.315 -176.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.4 m -88.34 114.82 25.35 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.478 -0.783 . . . . 0.0 108.998 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.57 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 5.1 m -93.77 120.41 34.0 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.324 -176.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -129.83 135.06 47.97 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.536 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.518 HG22 ' HA ' ' A' ' 65' ' ' VAL . 20.8 p -100.0 108.82 21.11 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 176.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.515 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 2.6 t80 -81.02 117.3 21.51 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.994 ' HG2' HG12 ' A' ' 103' ' ' ILE . 16.0 mt-30 . . . . . 0 C--N 1.319 -0.76 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.484 -172.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.994 HG12 ' HG2' ' A' ' 96' ' ' GLN . 60.7 mt . . . . . 0 CA--C 1.51 -0.594 0 CA-C-O 121.061 0.458 . . . . 0.0 109.928 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 4.8 pt-20 -69.67 -41.32 75.65 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.503 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.468 ' HB2' ' O ' ' A' ' 16' ' ' HIS . 24.3 p90 -173.91 173.68 3.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.951 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.647 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 65.7 mt -100.97 144.52 12.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.587 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 63.3 mt -113.44 115.52 49.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.6 p -113.4 112.43 23.63 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.274 0.559 . . . . 0.0 111.622 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.3 m -90.24 136.21 33.19 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 171.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.436 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 33.7 m-80 -126.49 110.75 13.63 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.914 -171.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.1 m -108.19 127.12 53.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.306 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -81.52 116.57 21.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.959 0.409 . . . . 0.0 110.106 -177.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 24.1 t . . . . . 0 C--N 1.322 -0.607 0 CA-C-O 121.756 0.789 . . . . 0.0 110.311 -178.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.583 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 31.7 Cg_exo . . . . . 0 CA--C 1.531 0.372 0 CA-C-O 120.523 0.135 . . . . 0.0 111.796 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.68 33.0 0.57 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.193 0.521 . . . . 0.0 112.018 -174.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.477 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 9.1 pt-20 -142.88 135.66 27.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.746 173.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -130.49 153.43 48.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.144 0.497 . . . . 0.0 110.897 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.9 mt -102.78 128.7 55.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.483 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.0 t -127.2 140.67 52.08 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.26 0.553 . . . . 0.0 111.049 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.446 ' HG2' HG12 ' A' ' 107' ' ' ILE . 77.8 mtt180 -110.6 121.65 45.85 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 173.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.42 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -139.32 153.58 47.76 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.095 0.474 . . . . 0.0 111.294 -172.832 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.44 147.09 52.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.836 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.488 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 44.0 pt -50.08 -25.29 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 124.452 1.095 . . . . 0.0 113.588 -169.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -75.69 -9.51 58.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.215 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.41 9.41 33.6 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.254 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.1 mm -88.26 122.08 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -175.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.47 ' CD2' ' HG ' ' A' ' 40' ' ' LEU . 93.6 m-85 -69.22 126.14 28.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.998 0.427 . . . . 0.0 111.346 -176.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.2 m -109.72 -39.26 5.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.493 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -141.68 132.56 25.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.466 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.431 ' HB ' ' HB3' ' A' ' 37' ' ' PRO . 97.6 t -130.59 137.9 55.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.709 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -75.87 149.22 37.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.071 0.462 . . . . 0.0 110.662 175.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -59.11 -16.03 17.29 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -173.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.583 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 84.3 mtm180 -68.43 0.02 4.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.074 0.464 . . . . 0.0 111.263 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.564 ' HG ' ' HB2' ' A' ' 35' ' ' TYR . 32.2 t -58.36 -38.33 77.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.139 176.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.2 m -69.32 -31.34 49.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.137 0.494 . . . . 0.0 111.431 -177.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.63 -52.23 9.34 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.487 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -60.25 -54.76 41.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.721 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.507 HG13 ' CD1' ' A' ' 78' ' ' PHE . 35.3 m -132.09 10.79 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -170.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.642 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 77.98 -18.61 4.92 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 120.58 -0.819 . . . . 0.0 114.351 173.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.564 ' HB2' ' HG ' ' A' ' 29' ' ' CYS . 23.1 m-85 -75.25 148.11 39.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.507 0.653 . . . . 0.0 111.182 -178.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.571 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -85.33 137.63 36.8 Favored Pre-proline 0 C--N 1.315 -0.916 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 169.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.652 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 86.4 Cg_exo -41.14 -50.92 4.12 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.636 2.224 . . . . 0.0 112.453 -177.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -56.91 -42.9 80.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.745 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.571 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 38.4 mm-40 -61.8 -33.12 73.54 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.439 0.638 . . . . 0.0 110.493 -176.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.47 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 18.8 tp -81.47 -28.46 34.11 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.105 -177.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 57.2 mt -60.85 117.51 5.51 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.461 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.64 -28.35 7.13 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.869 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.793 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 10.5 mmpt? -91.03 155.14 18.91 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.972 0.415 . . . . 0.0 110.236 178.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.503 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 10.0 t-20 -87.1 144.05 27.04 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 170.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.439 HG13 ' HE2' ' A' ' 78' ' ' PHE . 15.2 tt -58.32 -25.04 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.033 175.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.3 p -72.41 -23.58 21.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.721 0.296 . . . . 0.0 110.607 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.503 ' HG3' ' HB3' ' A' ' 44' ' ' ASN . 46.4 mt-10 -72.81 -19.32 61.36 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.109 0.481 . . . . 0.0 110.486 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -118.48 17.4 13.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.248 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.44 ' HG ' ' HD2' ' A' ' 76' ' ' PHE . 41.8 t -98.64 132.03 44.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.057 173.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.565 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 54.9 t60 -46.86 123.4 7.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.116 174.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.448 ' HA ' ' CD ' ' A' ' 54' ' ' GLN . 6.9 Cg_endo -49.79 -23.23 8.15 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 124.202 3.268 . . . . 0.0 114.758 -172.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -87.55 -6.13 58.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.261 -0.275 . . . . 0.0 111.413 -178.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.55 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 45.6 m-20 -110.52 -17.87 13.33 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 120.728 0.299 . . . . 0.0 110.41 -178.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.448 ' CD ' ' HA ' ' A' ' 51' ' ' PRO . 81.2 mt-30 -53.67 -29.28 37.9 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.259 0.624 . . . . 0.0 111.953 -178.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -74.08 -48.8 27.27 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.746 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 53' ' ' ASP . 4.6 pp -66.53 -29.85 70.03 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.923 0.868 . . . . 0.0 108.991 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.527 ' N ' HD13 ' A' ' 56' ' ' LEU . 20.6 tp -64.22 -52.12 60.37 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.854 174.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 54' ' ' GLN . 98.4 mtt180 -55.59 -48.1 75.39 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.269 0.556 . . . . 0.0 110.203 175.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.631 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 23.1 t70 -61.04 -41.56 96.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.423 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.4 p -65.13 -41.53 94.73 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.38 0.609 . . . . 0.0 110.801 -175.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.534 ' O ' HG22 ' A' ' 65' ' ' VAL . 4.1 m-85 -60.31 -37.92 82.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.909 176.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 30.9 mm-40 -68.57 -37.07 79.57 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.664 178.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.631 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 31.0 mm-40 -62.1 -48.33 80.65 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.98 HG12 ' HG ' ' A' ' 92' ' ' SER . 10.6 p -70.75 -24.34 24.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.589 -176.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 61' ' ' PHE . 70.8 t -70.63 -27.99 32.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.469 0.652 . . . . 0.0 109.429 174.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -83.86 -31.77 25.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.447 174.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.581 HD13 HD23 ' A' ' 72' ' ' LEU . 54.0 mt -90.72 29.38 1.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.108 -177.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.477 ' HD3' ' OE1' ' A' ' 96' ' ' GLN . 95.2 mttt -36.47 101.7 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.2 -27.52 6.08 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.758 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -97.11 142.41 29.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.796 0.331 . . . . 0.0 110.572 -178.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.5 t -77.77 120.37 28.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.947 177.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.581 HD23 HD13 ' A' ' 67' ' ' LEU . 1.3 tm? -113.78 115.52 27.91 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -177.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.1 p -100.35 126.76 46.75 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.296 0.569 . . . . 0.0 111.654 -175.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.2 p -115.57 130.06 70.83 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 CA-C-O 121.872 0.844 . . . . 0.0 110.338 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.8 ttt -105.43 126.99 52.74 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 114.413 -1.267 . . . . 0.0 109.362 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.758 ' HE1' ' HG1' ' A' ' 90' ' ' THR . 25.9 p90 -159.48 178.57 9.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.931 -174.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.565 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 41.1 mtt180 -102.16 115.07 29.77 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.507 ' CD1' HG13 ' A' ' 33' ' ' VAL . 15.9 t80 -99.1 140.28 33.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.689 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 15.1 ttp180 -81.43 118.95 23.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.062 0.458 . . . . 0.0 111.688 -178.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.428 ' HB2' HD21 ' A' ' 86' ' ' LEU . 32.1 t -78.33 177.29 8.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.529 173.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.642 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 19.6 tptm -69.53 -7.21 36.34 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 111.023 -177.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -103.48 11.79 35.97 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.576 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 66.43 25.2 10.29 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 114.552 -1.204 . . . . 0.0 112.035 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.689 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 23.1 mm-40 -101.6 167.66 9.98 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.321 175.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.52 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 68.6 m95 -120.05 93.97 4.23 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.162 -173.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.544 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -93.48 155.18 17.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.308 0.575 . . . . 0.0 111.846 -175.03 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -80.26 97.62 7.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.673 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.483 ' CE ' ' HB3' ' A' ' 110' ' ' ASN . 0.5 OUTLIER -112.06 132.19 54.97 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.525 177.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -100.84 111.61 23.86 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.758 ' HG1' ' HE1' ' A' ' 76' ' ' PHE . 85.4 m -95.97 122.18 38.51 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.664 -177.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 34.1 m -95.57 120.13 35.27 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.98 ' HG ' HG12 ' A' ' 64' ' ' VAL . 11.3 t -101.29 153.85 19.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.47 0.652 . . . . 0.0 111.231 -173.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.572 ' HE2' ' HD1' ' A' ' 95' ' ' PHE . 55.5 t80 -156.09 133.3 10.69 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.164 -1.38 . . . . 0.0 108.648 173.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.466 HG23 ' HA ' ' A' ' 65' ' ' VAL . 42.7 p -87.47 103.33 15.42 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.572 ' HD1' ' HE2' ' A' ' 93' ' ' PHE . 16.8 t80 -73.08 110.16 7.16 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.595 0.712 . . . . 0.0 109.576 -176.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.573 ' HG2' HG12 ' A' ' 103' ' ' ILE . 24.7 mt-30 . . . . . 0 C--N 1.315 -0.932 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.009 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.573 HG12 ' HG2' ' A' ' 96' ' ' GLN . 69.1 mt . . . . . 0 CA--C 1.513 -0.46 0 CA-C-O 120.9 0.381 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 4.0 pt-20 -94.72 -39.9 10.06 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.018 173.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -174.13 175.87 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.972 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.488 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 67.5 mt -98.62 144.29 11.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.446 HG12 ' HG2' ' A' ' 15' ' ' ARG . 46.7 mt -117.41 115.21 47.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 175.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 91' ' ' SER . 22.3 p -117.95 135.12 54.33 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.398 0.618 . . . . 0.0 111.308 -174.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 26.4 m -94.09 121.53 35.67 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.736 171.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.483 ' HB3' ' CE ' ' A' ' 88' ' ' MET . 16.1 m120 -108.46 109.32 20.56 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 -175.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.4 m -117.7 130.31 56.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.93 0.395 . . . . 0.0 111.238 -173.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -83.26 112.9 20.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.096 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.324 -0.502 0 CA-C-O 121.528 0.68 . . . . 0.0 109.265 177.661 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.858 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 48.9 Cg_exo . . . . . 0 CA--C 1.531 0.369 0 CA-C-O 120.704 0.21 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.74 17.71 18.69 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.051 0.453 . . . . 0.0 111.811 -171.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 0.5 OUTLIER -133.73 135.74 44.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 169.595 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -127.91 151.35 49.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.075 0.464 . . . . 0.0 111.253 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.3 mt -98.4 120.82 48.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.885 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.8 p -118.02 125.0 49.51 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.061 0.458 . . . . 0.0 110.368 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -105.94 124.18 49.16 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 176.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.507 ' HB3' ' HA ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -145.16 158.2 43.88 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -170.032 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.616 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -59.19 144.81 44.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 113.861 -1.518 . . . . 0.0 109.387 176.288 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.8 pt -53.23 -24.43 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -170.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -78.03 -12.32 59.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.688 0.28 . . . . 0.0 110.902 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.81 4.05 21.51 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.66 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.616 ' HB ' ' HB3' ' A' ' 17' ' ' ASN . 41.4 mm -82.09 111.43 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 116.776 0.288 . . . . 0.0 110.904 -172.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.507 ' HA ' ' HB3' ' A' ' 16' ' ' HIS . 96.5 m-85 -63.96 118.63 8.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.867 0.365 . . . . 0.0 111.759 -177.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 p -108.63 -30.22 8.33 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.292 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -139.3 122.65 17.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.384 176.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.9 t -129.3 136.44 59.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.673 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -84.49 149.5 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.31 0.576 . . . . 0.0 110.9 176.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -54.8 -20.95 9.69 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.88 -173.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.858 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 80.1 mtm180 -63.28 -8.41 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 111.816 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.1 p -63.19 -33.17 74.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.625 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 36' ' ' GLN . 3.9 m -66.25 -32.16 56.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.945 0.402 . . . . 0.0 110.957 -174.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.31 -52.82 7.25 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.69 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -54.95 -55.34 31.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.664 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.2 m -127.69 11.38 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -169.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.443 ' HA3' ' CB ' ' A' ' 81' ' ' LYS . . . 75.29 -28.96 1.18 Allowed Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.8 -0.714 . . . . 0.0 114.051 175.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -70.18 139.07 52.28 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 120.979 0.418 . . . . 0.0 110.114 -177.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.732 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -83.55 153.43 64.99 Favored Pre-proline 0 C--N 1.316 -0.878 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 173.615 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.719 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 81.7 Cg_exo -45.67 -50.48 9.4 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 122.71 2.273 . . . . 0.0 112.809 -174.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -60.07 -40.82 90.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.098 -178.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -62.0 -30.46 70.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.261 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 14.5 tp -88.62 -26.49 21.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.407 -178.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.719 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 66.6 mt -64.0 115.6 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.947 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.31 -12.61 28.49 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.111 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.53 ' HE2' ' CZ ' ' A' ' 48' ' ' PHE . 29.5 mmmt -99.74 155.29 17.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.778 0.323 . . . . 0.0 110.679 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.596 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 29.1 t-20 -90.66 140.69 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 171.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.454 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 14.0 tt -59.4 -25.16 30.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.793 176.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.1 t -73.18 -27.66 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.055 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.596 ' HG3' ' HB3' ' A' ' 44' ' ' ASN . 37.7 mt-10 -61.47 -39.83 92.31 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.991 0.424 . . . . 0.0 110.542 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.53 ' CZ ' ' HE2' ' A' ' 43' ' ' LYS . 37.0 m-85 -102.13 17.05 24.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.082 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.431 ' SG ' HD11 ' A' ' 57' ' ' LEU . 44.2 t -90.5 132.95 35.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.233 172.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.604 ' HB3' ' CB ' ' A' ' 53' ' ' ASP . 26.0 t-80 -46.59 134.48 7.88 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.653 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -48.57 -53.08 7.39 Favored 'Trans proline' 0 N--CA 1.478 0.582 0 C-N-CA 122.817 2.345 . . . . 0.0 113.954 -172.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.563 ' HG2' ' HD1' ' A' ' 50' ' ' HIS . 7.7 pt-20 -70.16 -5.92 30.58 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.029 0.442 . . . . 0.0 111.611 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.64 ' OD2' ' HB2' ' A' ' 76' ' ' PHE . 29.8 t70 -110.36 -7.04 14.84 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.726 0.774 . . . . 0.0 109.546 -164.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -70.7 -37.0 73.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.961 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -37.04 85.71 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tt -60.09 -52.95 63.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.408 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' A' ' 57' ' ' LEU . 10.8 mt -59.19 -44.59 92.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.721 176.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.588 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 24.0 ttt180 -53.19 -56.74 14.03 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.48 0.487 . . . . 0.0 110.964 -177.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.632 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 30.6 t70 -62.34 -44.32 96.76 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.051 0.453 . . . . 0.0 110.943 -177.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.8 m -65.88 -33.4 75.76 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.165 -175.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.488 ' O ' HG22 ' A' ' 65' ' ' VAL . 12.4 m-85 -69.29 -39.12 78.52 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 174.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 15.2 mm100 -62.71 -39.58 94.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.444 177.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.632 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 82.9 mm-40 -57.35 -50.07 74.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.517 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.856 HG12 ' HG ' ' A' ' 92' ' ' SER . 10.7 p -72.58 -22.71 20.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 120.961 0.41 . . . . 0.0 110.877 -177.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.552 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 64.9 t -71.17 -34.56 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 173.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 29.5 mtpp -72.25 -36.68 69.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.948 173.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.776 HD12 HD13 ' A' ' 72' ' ' LEU . 50.5 mt -61.53 -58.76 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.32 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.574 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 96.3 mttt 55.51 93.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 O-C-N 124.02 0.825 . . . . 0.0 111.851 -177.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.99 -14.0 34.19 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.982 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.463 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 14.6 mm100 -104.52 137.45 42.37 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.911 0.355 . . . . 0.0 110.802 -178.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.476 ' HA ' ' O ' ' A' ' 92' ' ' SER . 68.2 t -77.81 126.5 38.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.074 177.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.776 HD13 HD12 ' A' ' 67' ' ' LEU . 13.7 tp -117.76 137.51 52.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.51 -176.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.9 p -99.77 121.52 41.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.874 0.369 . . . . 0.0 110.991 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.8 p -125.7 131.8 71.56 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 CA-C-O 121.753 0.787 . . . . 0.0 109.97 174.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.698 ' HE1' HG21 ' A' ' 113' ' ' VAL . 24.3 ttt -111.64 121.75 45.97 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 114.569 -1.196 . . . . 0.0 109.757 -174.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.64 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . 28.9 p90 -151.8 178.73 9.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.228 -170.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.491 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 40.9 mtm180 -111.33 114.92 28.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.943 0.401 . . . . 0.0 110.92 -176.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -96.81 137.26 36.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.655 -177.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.581 ' NH2' ' HG3' ' A' ' 83' ' ' GLN . 32.2 ttt180 -82.59 104.36 12.8 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.054 0.454 . . . . 0.0 110.618 176.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.5 t -64.5 174.72 1.61 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.331 175.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.443 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . 25.9 tptp -68.92 -5.89 24.08 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.842 0.857 . . . . 0.0 110.989 -177.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -98.5 8.05 45.38 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.581 ' HG3' ' NH2' ' A' ' 79' ' ' ARG . 2.5 mp0 65.27 29.57 11.61 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.404 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.56 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 13.7 pt-20 -112.21 155.41 24.03 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.193 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.463 ' CZ3' ' HB2' ' A' ' 79' ' ' ARG . 42.9 m95 -111.06 107.36 16.72 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -176.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.2 pp -110.94 158.49 18.7 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.293 -177.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -81.25 133.63 35.47 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 120.988 0.423 . . . . 0.0 110.297 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.479 ' HA ' HG23 ' A' ' 113' ' ' VAL . 10.0 ptp -142.68 143.42 32.31 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.285 170.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -106.74 111.18 23.59 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.601 ' HG1' ' ND2' ' A' ' 110' ' ' ASN . 91.4 m -99.56 136.95 38.73 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 114.695 -1.138 . . . . 0.0 111.333 -176.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.401 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 15.9 m -96.59 120.18 36.43 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.222 175.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.856 ' HG ' HG12 ' A' ' 64' ' ' VAL . 9.3 t -98.08 155.63 17.04 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.339 0.59 . . . . 0.0 110.224 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.514 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 80.3 t80 -154.15 134.62 13.46 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.464 176.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.65 ' HB ' HD13 ' A' ' 103' ' ' ILE . 2.7 p -103.03 106.47 17.0 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 120.481 -0.488 . . . . 0.0 109.816 177.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.514 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 7.4 t80 -70.42 109.22 4.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.93 -171.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.293 177.699 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.65 HD13 ' HB ' ' A' ' 94' ' ' THR . 48.6 mm . . . . . 0 CA--C 1.515 -0.393 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -64.39 -47.48 79.08 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.693 0.759 . . . . 0.0 109.066 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -176.38 176.5 1.63 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.062 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.457 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 57.0 mt -97.16 142.2 14.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 175.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 47.3 mt -114.13 111.77 37.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 91.5 m -111.07 116.98 32.07 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.353 0.597 . . . . 0.0 111.23 -177.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.452 ' O ' ' HA ' ' A' ' 90' ' ' THR . 8.0 m -93.19 109.53 21.04 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 173.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.601 ' ND2' ' HG1' ' A' ' 90' ' ' THR . 14.5 m120 -95.18 110.13 22.14 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -171.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.8 m -109.43 121.24 44.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.746 0.308 . . . . 0.0 110.858 -177.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.7 110.54 13.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.197 0.522 . . . . 0.0 110.217 -176.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.698 HG21 ' HE1' ' A' ' 75' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.44 -0.929 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.133 175.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.479 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 76.3 Cg_exo . . . . . 0 CA--C 1.53 0.303 0 CA-C-O 120.842 0.268 . . . . 0.0 112.311 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -83.51 8.5 13.84 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.443 0.64 . . . . 0.0 111.648 -172.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.649 ' HG2' ' HA ' ' A' ' 111' ' ' THR . 45.9 mt-10 -119.12 134.67 55.06 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 175.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -126.06 133.27 51.75 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.6 mt -93.64 125.37 46.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.464 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.5 p -131.05 140.34 50.06 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.234 0.54 . . . . 0.0 111.091 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.407 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 49.3 mtt180 -111.13 123.44 50.21 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.45 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -146.53 153.03 39.92 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.042 -170.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -74.93 154.23 38.25 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.423 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 26.1 pt -53.34 -21.12 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 O-C-N 124.43 1.082 . . . . 0.0 113.714 -168.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -73.55 -9.1 58.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.356 0.598 . . . . 0.0 110.739 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.424 ' O ' ' HA ' ' A' ' 44' ' ' ASN . . . 100.78 4.49 54.5 Favored Glycine 0 N--CA 1.44 -1.092 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 -177.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.7 mm -78.87 114.82 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 O-C-N 123.564 0.214 . . . . 0.0 110.989 -174.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 96.6 m-85 -75.51 122.25 23.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.036 0.446 . . . . 0.0 111.106 -178.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.1 p -110.43 -29.58 8.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.835 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.407 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 83.4 t80 -135.59 117.64 15.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.048 176.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.0 t -123.57 130.37 74.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.813 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -74.72 148.52 40.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.154 0.502 . . . . 0.0 110.221 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -60.51 -15.31 25.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.579 -174.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.649 ' HD2' ' O ' ' A' ' 11' ' ' GLU . 56.8 mtm180 -64.82 -11.14 33.91 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.5 p -57.79 -34.43 69.6 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.818 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.609 HG11 ' HA ' ' A' ' 36' ' ' GLN . 4.0 m -66.94 -30.37 49.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.447 -177.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.99 -51.39 9.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 -177.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.509 HG22 ' HB2' ' A' ' 112' ' ' ASN . 7.4 m -65.33 -50.46 65.57 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.428 HG13 ' CD1' ' A' ' 78' ' ' PHE . 35.1 m -129.36 14.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -169.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.59 -26.89 0.89 Allowed Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.938 -0.648 . . . . 0.0 114.39 174.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -70.3 140.29 52.26 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.261 0.553 . . . . 0.0 110.022 -177.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.628 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 15.4 mm-40 -84.13 154.85 63.88 Favored Pre-proline 0 C--N 1.311 -1.105 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 176.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.643 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 76.5 Cg_exo -47.95 -50.23 12.24 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.35 2.033 . . . . 0.0 111.868 -176.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -54.91 -46.39 74.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.386 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.628 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 8.7 mm-40 -62.65 -29.77 70.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.689 -172.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.3 tp -89.34 -25.63 21.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.274 -174.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 85.0 mt -60.36 115.32 3.45 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.051 0.453 . . . . 0.0 111.345 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.12 -12.84 34.1 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.29 178.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.638 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 9.3 mmpt? -102.1 154.25 19.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.537 0.208 . . . . 0.0 110.48 -178.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.618 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 8.5 m120 -84.73 146.23 27.52 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.471 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 13.2 tt -61.33 -25.95 37.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.21 171.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.427 HG12 ' CB ' ' A' ' 44' ' ' ASN . 8.1 p -74.87 -15.7 16.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.21 -178.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.618 ' HG2' ' HB2' ' A' ' 44' ' ' ASN . 16.6 mm-40 -76.23 -29.42 57.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.145 0.497 . . . . 0.0 110.758 179.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -113.73 14.45 18.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.344 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.436 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 41.0 t -87.41 142.5 27.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.18 176.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.693 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 39.0 t-80 -49.85 127.03 19.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.02 173.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -49.33 -34.04 30.84 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 124.473 3.449 . . . . 0.0 114.59 -171.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -82.79 -9.86 59.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 111.355 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.3 m-20 -110.2 -13.04 14.41 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -170.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.436 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 78.8 mt-30 -59.9 -41.05 90.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.925 -176.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -77.32 -31.17 54.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.431 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 tt -68.51 -49.11 62.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 122.131 0.967 . . . . 0.0 108.497 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.677 ' HA ' HG22 ' A' ' 74' ' ' VAL . 0.3 OUTLIER -61.25 -43.86 98.19 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 113.672 -1.604 . . . . 0.0 110.268 175.425 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.564 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 80.0 ttt180 -56.41 -54.4 46.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.811 0.339 . . . . 0.0 110.805 178.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.3 -32.7 68.69 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.495 0.664 . . . . 0.0 111.103 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.9 m -77.06 -32.43 56.82 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.899 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.507 ' O ' HG12 ' A' ' 64' ' ' VAL . 4.7 m-30 -69.54 -32.44 71.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.277 0.56 . . . . 0.0 109.773 173.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.564 ' HG3' ' O ' ' A' ' 58' ' ' ARG . 33.6 mt-30 -64.24 -38.72 92.07 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 174.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -70.01 -32.09 70.07 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.432 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 61' ' ' PHE . 8.6 p -71.87 -25.82 24.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 119.314 -0.954 . . . . 0.0 110.088 177.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.446 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 62.7 t -74.14 -25.9 20.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 171.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 59.6 mtpt -80.53 -38.26 29.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.433 176.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.853 HD11 HD21 ' A' ' 72' ' ' LEU . 43.0 mt -95.78 30.45 2.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.798 -176.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 95.0 mttt -29.86 109.99 0.05 Allowed 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.06 -18.9 33.29 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.607 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.426 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 23.0 mt-30 -95.12 144.83 25.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.746 0.308 . . . . 0.0 110.694 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.2 p -77.02 116.82 20.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.396 0.617 . . . . 0.0 109.758 173.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.853 HD21 HD11 ' A' ' 67' ' ' LEU . 1.6 tm? -103.68 115.33 30.3 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -179.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.6 p -89.99 121.23 31.89 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.866 0.365 . . . . 0.0 110.911 -177.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.677 HG22 ' HA ' ' A' ' 57' ' ' LEU . 2.4 p -124.24 128.4 73.85 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 CA-C-O 121.729 0.776 . . . . 0.0 110.399 175.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 11.1 ttt -107.13 128.16 54.14 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.475 -1.238 . . . . 0.0 109.877 -176.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.401 ' HZ ' HD13 ' A' ' 45' ' ' ILE . 19.3 p90 -161.51 178.66 8.89 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.159 -175.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.693 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 81.9 mtp180 -108.35 123.12 48.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.848 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.504 ' O ' ' HA ' ' A' ' 85' ' ' TRP . 2.1 t80 -98.23 139.88 33.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.587 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.577 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 36.9 ttp180 -82.02 109.16 16.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.168 0.509 . . . . 0.0 111.092 178.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.5 p -65.97 175.61 1.96 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.343 172.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -72.63 -8.65 56.34 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 -175.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -102.04 10.13 39.82 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.418 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 2.0 mp0 67.03 40.84 2.81 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 114.69 -1.141 . . . . 0.0 112.333 174.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.577 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 36.9 mm-40 -115.94 159.98 20.85 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.582 170.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.553 ' CZ3' ' HB2' ' A' ' 79' ' ' ARG . 11.5 m95 -115.43 92.12 3.82 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -173.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.638 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -83.85 163.32 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.619 -178.068 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -90.32 121.67 32.54 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.908 -175.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 13.1 ptp -135.04 148.82 50.01 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.605 176.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -111.62 112.58 24.39 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 173.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.421 ' CG2' ' HB2' ' A' ' 108' ' ' CYS . 96.5 m -93.54 131.59 38.65 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.834 -176.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.4 m -90.17 110.09 21.13 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.088 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.605 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 9.7 m -92.68 128.16 38.44 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.415 -174.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 67.0 t80 -131.01 135.22 47.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.443 173.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.682 ' HB ' HD13 ' A' ' 103' ' ' ILE . 4.1 p -104.34 112.25 25.21 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.956 0.408 . . . . 0.0 110.209 175.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.436 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 5.1 t80 -81.72 103.07 11.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.23 0.538 . . . . 0.0 111.166 -173.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 . . . . . 0 N--CA 1.45 -0.431 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.863 173.582 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.682 HD13 ' HB ' ' A' ' 94' ' ' THR . 48.9 mm . . . . . 0 CA--C 1.509 -0.606 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -68.29 -36.3 79.15 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.211 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -174.76 176.37 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.059 176.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.45 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 64.5 mt -99.22 141.6 16.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.829 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 71.2 mt -114.59 107.49 23.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 177.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.421 ' HB2' ' CG2' ' A' ' 90' ' ' THR . 13.9 p -118.64 119.54 34.79 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.381 0.61 . . . . 0.0 112.029 -172.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.0 m -89.87 134.91 33.94 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 171.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -118.15 111.62 19.09 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -171.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.649 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 58.5 m -107.41 110.42 22.38 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.084 -175.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.509 ' HB2' HG22 ' A' ' 32' ' ' THR . 2.4 t-20 -81.3 109.91 16.25 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.01 -178.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 38.7 t . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.065 -175.712 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo . . . . . 0 C--O 1.232 0.206 0 CA-C-O 120.453 0.105 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.527 HG21 ' HA ' ' A' ' 32' ' ' THR . 1.1 p -86.23 29.41 0.75 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.428 0.632 . . . . 0.0 111.929 -179.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -131.49 134.16 45.86 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 171.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.605 ' HB3' ' HB2' ' A' ' 28' ' ' ARG . 47.3 p90 -144.96 147.63 32.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.835 0.35 . . . . 0.0 110.996 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.6 mt -93.95 128.7 45.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.2 p -126.95 136.36 52.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.317 0.58 . . . . 0.0 110.866 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.493 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 69.9 mtt180 -111.1 126.55 54.95 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 176.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.511 ' HB3' ' HA ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -150.36 152.11 33.89 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.29 -172.72 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -73.01 155.4 39.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.467 ' HA ' HG13 ' A' ' 106' ' ' ILE . 37.3 pt -49.79 -27.36 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -167.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.01 -15.92 63.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.867 0.365 . . . . 0.0 111.198 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.59 4.4 32.27 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.89 -175.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.9 mm -83.0 115.48 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 121.957 0.103 . . . . 0.0 111.027 -172.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.587 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 97.8 m-85 -71.31 129.45 38.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.905 0.383 . . . . 0.0 111.753 -175.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.8 p -112.44 -24.58 9.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.742 176.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.493 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 87.2 t80 -144.16 127.4 16.7 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.58 176.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.402 HG21 HD23 ' A' ' 40' ' ' LEU . 87.3 t -131.11 135.73 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.809 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.569 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 13.3 t70 -81.41 149.68 28.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.281 0.563 . . . . 0.0 110.774 176.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.1 m80 -52.06 -23.98 6.1 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 114.816 -1.084 . . . . 0.0 113.322 -174.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.605 ' HB2' ' HB3' ' A' ' 12' ' ' PHE . 87.8 mtt180 -63.33 -9.04 10.2 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.786 0.327 . . . . 0.0 111.692 -178.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.434 ' HG ' ' HB2' ' A' ' 35' ' ' TYR . 39.7 t -60.32 -36.53 78.14 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.499 177.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.724 HG11 ' HA ' ' A' ' 36' ' ' GLN . 5.2 m -65.56 -34.51 70.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.244 -175.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.11 -50.85 10.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.996 0.427 . . . . 0.0 110.379 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.527 ' HA ' HG21 ' A' ' 10' ' ' THR . 5.7 m -56.04 -55.1 37.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.619 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.515 HG13 ' CD1' ' A' ' 78' ' ' PHE . 22.2 m -135.16 16.95 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -170.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.424 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 78.08 -28.09 1.97 Allowed Glycine 0 CA--C 1.517 0.194 0 C-N-CA 120.677 -0.773 . . . . 0.0 114.48 173.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.434 ' HB2' ' HG ' ' A' ' 29' ' ' CYS . 54.8 m-85 -70.57 133.64 46.92 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 117.478 0.639 . . . . 0.0 110.192 -177.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.724 ' HA ' HG11 ' A' ' 30' ' ' VAL . 57.7 mm-40 -78.53 147.79 72.3 Favored Pre-proline 0 C--N 1.308 -1.211 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 175.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.647 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 76.2 Cg_exo -41.38 -51.33 4.16 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.564 2.176 . . . . 0.0 112.42 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -63.06 -39.32 94.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.999 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -64.78 -26.58 68.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.296 -175.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.425 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 18.0 tp -91.0 -24.24 20.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.546 -177.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 56.3 mt -61.97 124.71 21.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.706 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.64 -15.81 55.41 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.725 175.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -112.84 161.64 16.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.849 0.357 . . . . 0.0 110.808 -176.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -90.8 140.84 29.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.568 -172.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.587 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 13.8 tt -61.8 -28.37 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.52 173.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.4 t -70.74 -29.86 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.375 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.57 -24.63 65.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.092 0.473 . . . . 0.0 110.57 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -114.3 20.32 15.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.053 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.541 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 53.7 t -96.42 145.49 25.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.017 175.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.564 ' HA ' ' CE3' ' A' ' 85' ' ' TRP . 18.4 t-80 -44.06 126.91 4.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.66 173.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.38 -18.52 25.07 Favored 'Trans proline' 0 N--CA 1.477 0.52 0 C-N-CA 123.07 2.513 . . . . 0.0 113.45 -173.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -97.24 -6.52 34.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.29 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -116.45 -0.26 12.56 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -172.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.541 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 77.6 mt-30 -69.68 -32.05 70.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.911 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.03 -44.33 80.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.101 171.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.3 -45.99 79.99 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.224 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.445 HD22 HG21 ' A' ' 74' ' ' VAL . 12.4 mt -61.52 -45.58 93.61 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.696 174.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.501 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 41.7 ttt180 -53.11 -54.88 29.16 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.446 0.466 . . . . 0.0 110.484 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.609 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 13.6 t70 -56.13 -48.96 75.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.507 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.4 m -68.05 -33.43 74.55 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.146 -172.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.552 ' O ' HG21 ' A' ' 65' ' ' VAL . 15.4 m-30 -69.62 -35.97 75.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.001 0.429 . . . . 0.0 109.843 175.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 15.9 mm100 -66.07 -39.06 89.77 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 84.0 mm-40 -61.87 -48.16 81.77 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.237 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.06 -24.49 26.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.523 -176.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.552 HG21 ' O ' ' A' ' 61' ' ' PHE . 93.2 t -73.73 -23.84 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.407 0.622 . . . . 0.0 109.771 174.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -88.0 -36.05 17.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.35 0.595 . . . . 0.0 110.252 174.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.482 HD12 HD22 ' A' ' 72' ' ' LEU . 66.6 mt -89.76 29.4 1.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.086 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.567 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 99.3 mttt -34.51 108.62 0.07 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.356 0.662 . . . . 0.0 112.624 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.05 -18.34 26.23 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.823 -0.626 . . . . 0.0 113.179 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.444 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 32.3 mm-40 -95.17 142.19 27.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.0 t -77.67 114.72 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.173 175.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.482 HD22 HD12 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -112.21 113.77 26.19 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -178.32 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.802 ' HB2' ' HE ' ' A' ' 89' ' ' ARG . 32.5 p -91.26 121.95 33.46 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.062 0.458 . . . . 0.0 110.819 -176.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.445 HG21 HD22 ' A' ' 57' ' ' LEU . 4.0 p -116.65 131.12 70.2 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.883 0 CA-C-O 121.678 0.751 . . . . 0.0 110.113 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 20.1 ttt -114.86 124.96 53.07 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.838 -1.074 . . . . 0.0 109.726 -175.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -152.94 178.52 9.59 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.955 -172.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.544 ' HB3' ' HB3' ' A' ' 85' ' ' TRP . 10.8 mtm180 -106.56 107.16 18.03 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.019 0.437 . . . . 0.0 110.559 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.515 ' CD1' HG13 ' A' ' 33' ' ' VAL . 2.9 t80 -83.18 134.49 34.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.246 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.52 ' HG2' ' HA ' ' A' ' 83' ' ' GLN . 24.5 ttp180 -81.76 102.48 10.8 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.709 0.29 . . . . 0.0 110.842 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.467 ' HB3' ' HG2' ' A' ' 84' ' ' GLU . 47.8 t -58.55 173.54 0.39 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.97 172.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.424 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 18.9 tptm -70.99 -8.39 52.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.519 -173.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -99.12 9.16 44.04 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.52 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 2.2 mp0 64.31 44.42 4.31 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.849 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.467 ' HG2' ' HB3' ' A' ' 80' ' ' SER . 10.9 pt-20 -117.45 147.32 42.82 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.462 175.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.564 ' CE3' ' HA ' ' A' ' 50' ' ' HIS . 6.4 m95 -106.06 101.42 10.91 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 -172.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.524 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -104.11 157.28 17.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.742 0.306 . . . . 0.0 111.405 -176.397 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -78.47 110.68 13.77 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.233 0.54 . . . . 0.0 111.939 -173.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.564 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 2.3 tpp -121.57 130.84 53.78 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.122 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.802 ' HE ' ' HB2' ' A' ' 73' ' ' SER . 58.8 ttt180 -107.4 108.78 20.29 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 175.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.451 ' CG2' ' HB3' ' A' ' 108' ' ' CYS . 94.3 m -96.55 132.93 41.64 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.737 -177.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.515 ' OG ' ' HB ' ' A' ' 109' ' ' THR . 35.9 p -90.28 119.85 30.94 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 175.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.6 m -96.85 124.47 40.83 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.586 -175.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.668 ' HE2' ' HD1' ' A' ' 95' ' ' PHE . 61.7 t80 -127.25 135.02 50.03 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 171.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.635 ' HB ' HD12 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -93.19 111.29 22.89 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 109.722 -0.474 . . . . 0.0 109.722 174.725 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.668 ' HD1' ' HE2' ' A' ' 93' ' ' PHE . 9.8 t80 -72.86 95.26 1.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.178 0.513 . . . . 0.0 110.546 -174.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 . . . . . 0 C--N 1.321 -0.648 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.655 179.643 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.635 HD12 ' HB ' ' A' ' 94' ' ' THR . 49.4 mm . . . . . 0 N--CA 1.448 -0.55 0 CA-C-O 121.086 0.469 . . . . 0.0 109.943 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -58.45 -47.52 83.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.694 176.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.494 ' HE1' HD11 ' A' ' 107' ' ' ILE . 1.4 p90 179.97 -172.13 0.19 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 113.84 -1.527 . . . . 0.0 109.378 -178.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.467 HG13 ' HA ' ' A' ' 18' ' ' ILE . 45.3 mt -100.65 140.19 20.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.52 ' HB ' ' HD2' ' A' ' 93' ' ' PHE . 21.2 mm -110.38 111.48 36.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 178.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 91' ' ' SER . 57.0 m -121.75 121.93 38.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.3 0.571 . . . . 0.0 112.278 -172.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.515 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 30.5 m -93.48 121.19 34.63 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 169.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.564 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 4.0 m-20 -104.11 110.56 22.79 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -172.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.5 m -116.86 113.53 22.61 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.964 -177.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 88' ' ' MET . 4.7 t-20 -83.14 128.94 34.93 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 18.4 t . . . . . 0 C--N 1.322 -0.625 0 CA-C-O 121.218 0.532 . . . . 0.0 109.68 -178.221 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.44 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 33.5 Cg_exo . . . . . 0 CA--C 1.532 0.377 0 CA-C-O 120.762 0.234 . . . . 0.0 112.099 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m -88.14 25.72 1.54 Allowed 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.437 0.637 . . . . 0.0 111.389 -175.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.498 ' HG2' ' HA ' ' A' ' 111' ' ' THR . 47.5 mt-10 -128.67 135.16 48.89 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 171.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -137.49 144.51 42.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.079 0.466 . . . . 0.0 111.039 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -102.9 127.66 56.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.043 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.8 m -131.87 131.75 43.04 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.59 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.0 mtm-85 -101.11 121.17 41.34 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.479 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -135.65 149.79 49.41 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.673 -173.551 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -73.34 156.88 37.94 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.8 pt -53.01 -21.03 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -168.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.465 ' HB2' HG12 ' A' ' 21' ' ' ILE . 40.1 mt-10 -70.35 -18.87 63.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.137 0.494 . . . . 0.0 110.509 176.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.33 3.82 33.08 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.48 -173.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.465 HG12 ' HB2' ' A' ' 19' ' ' GLU . 39.2 mm -84.42 120.07 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 122.169 0.188 . . . . 0.0 111.12 -171.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -73.29 130.14 39.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.701 0.286 . . . . 0.0 110.915 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.5 t -120.98 -16.94 7.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.01 0.434 . . . . 0.0 110.523 177.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -149.69 124.54 9.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.407 . . . . 0.0 109.961 172.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.568 ' HB ' ' HA ' ' A' ' 37' ' ' PRO . 78.1 t -128.68 139.07 52.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.459 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -82.68 148.64 27.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.408 0.623 . . . . 0.0 110.943 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -59.11 -18.94 40.07 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 114.947 -1.024 . . . . 0.0 113.231 -172.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.453 ' HD2' ' O ' ' A' ' 11' ' ' GLU . 84.9 mtm180 -64.25 -8.47 12.79 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 111.726 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.1 t -59.57 -34.44 72.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.89 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.9 m -66.51 -36.39 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.069 -175.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.6 -46.8 18.48 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.843 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.7 m -59.69 -49.5 77.5 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.589 HG13 ' CD1' ' A' ' 78' ' ' PHE . 16.6 m -129.53 -21.72 1.42 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.185 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -172.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.98 -21.69 26.87 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 119.486 -1.34 . . . . 0.0 113.041 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.451 ' H ' HG22 ' A' ' 33' ' ' VAL . 17.1 m-85 -72.03 150.47 43.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.134 0.492 . . . . 0.0 110.38 178.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -98.59 153.92 37.73 Favored Pre-proline 0 C--N 1.31 -1.115 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 176.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.629 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 88.0 Cg_exo -43.2 -49.56 7.17 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.065 1.843 . . . . 0.0 111.451 175.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -54.37 -41.01 68.69 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.747 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -64.08 -31.65 72.91 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.06 -171.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.0 mt -89.36 -22.71 22.47 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.661 -177.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 52.7 mt -61.98 106.28 0.69 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.159 0.504 . . . . 0.0 111.195 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.54 -8.42 40.46 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.344 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -112.42 150.8 30.64 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 121.056 0.455 . . . . 0.0 110.01 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.495 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 17.2 t-20 -87.51 145.81 26.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.924 -176.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.6 tt -62.34 -28.27 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.388 175.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.0 p -72.09 -22.09 20.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-O 120.882 0.373 . . . . 0.0 110.455 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.495 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 5.1 mm-40 -64.98 -39.61 93.73 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.351 0.596 . . . . 0.0 109.793 177.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.476 ' HB3' ' HB3' ' A' ' 79' ' ' ARG . 40.0 m-85 -105.12 20.77 18.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.996 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.474 ' SG ' HD11 ' A' ' 57' ' ' LEU . 36.1 t -97.8 129.59 44.78 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.985 174.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -48.5 125.77 12.51 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.95 177.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -48.93 -25.15 8.22 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 124.154 3.236 . . . . 0.0 114.474 -173.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -87.89 -10.17 51.5 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.371 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -112.36 -3.47 14.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.96 0.41 . . . . 0.0 110.049 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -59.77 -45.3 92.7 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.19 -175.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -69.32 -36.14 76.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.299 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.84 -41.66 87.45 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.223 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.474 HD11 ' SG ' ' A' ' 49' ' ' CYS . 12.8 mt -65.07 -47.14 78.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.522 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 66.8 mtt180 -58.11 -52.94 63.44 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 120.847 0.356 . . . . 0.0 110.629 -178.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -54.53 -44.35 72.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.099 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.7 m -76.23 -33.62 59.21 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.352 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.493 ' O ' HG12 ' A' ' 64' ' ' VAL . 10.9 m-30 -69.3 -32.55 71.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.06 0.457 . . . . 0.0 109.94 176.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 15.7 mm100 -65.18 -37.34 87.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.403 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 75.3 mt-30 -73.95 -28.84 61.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.447 -178.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 61' ' ' PHE . 9.0 p -72.87 -26.04 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.381 175.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.475 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 58.4 t -75.68 -28.69 19.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 171.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 63' ' ' GLN . 62.9 mtpt -78.49 -23.99 46.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.904 176.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.856 ' HB3' ' HB2' ' A' ' 70' ' ' GLN . 32.3 mt -85.28 -51.61 6.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.509 176.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.756 ' HG2' HD11 ' A' ' 103' ' ' ILE . 98.4 mttt 62.28 95.24 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.523 0.678 . . . . 0.0 112.145 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.85 -11.12 70.05 Favored Glycine 0 C--N 1.317 -0.522 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.365 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.856 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 2.6 mp0 -94.16 137.89 32.82 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.0 p -76.58 121.08 27.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.399 0.619 . . . . 0.0 110.393 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.528 HD21 ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -108.84 114.79 28.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.115 -179.437 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.1 m -91.79 120.93 32.96 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.076 0.465 . . . . 0.0 110.108 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.93 137.33 55.1 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 CA-C-O 121.67 0.747 . . . . 0.0 109.684 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 26.0 ttt -117.39 130.29 56.4 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.108 -172.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.454 ' CD1' HD22 ' A' ' 57' ' ' LEU . 15.5 p90 -152.95 179.28 8.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.602 -173.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.568 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 23.6 mtp180 -103.8 106.43 16.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.058 0.456 . . . . 0.0 110.305 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.589 ' CD1' HG13 ' A' ' 33' ' ' VAL . 24.0 t80 -86.09 140.57 30.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.408 -177.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 5.1 ttm180 -78.72 114.94 18.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.179 0.514 . . . . 0.0 111.384 -177.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 t -64.61 168.55 5.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.635 172.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -65.29 -17.87 64.85 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 121.34 0.591 . . . . 0.0 109.931 176.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -86.42 -1.97 58.03 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.572 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 28.8 mm-40 67.82 23.88 8.35 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 113.508 -1.678 . . . . 0.0 111.275 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.582 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 32.7 mm-40 -82.55 172.57 12.84 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 166.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -128.53 95.12 4.04 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -174.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.568 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -96.43 157.98 15.65 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -170.005 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -75.65 105.38 6.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.217 -0.902 . . . . 0.0 111.885 -177.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.557 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 4.0 tpp -121.85 133.97 54.88 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.718 177.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -109.49 109.18 19.92 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 174.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' A' ' 108' ' ' CYS . 89.1 m -93.93 131.16 39.65 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.98 -174.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.7 m -88.92 112.53 23.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.165 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 4.2 m -90.25 129.21 36.52 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.617 -175.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.571 ' HE1' ' HD1' ' A' ' 95' ' ' PHE . 36.6 t80 -129.36 135.18 48.39 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 172.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.514 ' HB ' HD12 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -102.76 111.96 24.52 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.007 0.432 . . . . 0.0 110.517 176.858 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.571 ' HD1' ' HE1' ' A' ' 93' ' ' PHE . 27.0 t80 -79.03 116.73 19.51 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.561 -173.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.423 ' NE2' ' HD3' ' A' ' 68' ' ' LYS . 64.4 mt-30 . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.717 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.756 HD11 ' HG2' ' A' ' 68' ' ' LYS . 67.1 mt . . . . . 0 N--CA 1.447 -0.612 0 CA-C-O 121.265 0.555 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.67 -41.28 16.45 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.931 -174.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -171.85 178.38 3.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.326 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.479 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 43.7 mt -105.18 143.26 16.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.64 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.3 mt -118.16 110.09 29.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.456 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 66.5 m -112.53 115.42 28.62 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.089 0.471 . . . . 0.0 112.246 -174.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.6 m -84.97 134.12 34.25 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 168.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.557 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 38.1 m-80 -115.32 111.36 20.76 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -171.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.498 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 37.6 m -108.3 107.83 18.59 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.352 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -79.36 117.29 20.2 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 31.8 t . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.958 -172.471 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 32.5 Cg_exo . . . . . 0 CA--C 1.531 0.365 0 CA-C-O 120.767 0.236 . . . . 0.0 112.308 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.6 p -88.64 28.76 1.08 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.041 0.448 . . . . 0.0 111.892 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -137.22 134.32 36.11 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 172.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -136.53 147.5 47.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.074 0.464 . . . . 0.0 110.544 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.5 mt -107.22 130.13 59.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.3 m -136.15 149.89 48.82 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.109 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.588 ' HG2' HG12 ' A' ' 107' ' ' ILE . 99.3 mtt180 -110.48 130.71 55.5 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 176.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.5 ' HB3' ' HA ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -149.23 152.78 36.58 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.833 -172.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -76.56 157.0 32.38 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.498 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 32.2 pt -50.08 -30.24 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -165.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -81.21 2.6 27.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.335 0.588 . . . . 0.0 110.67 -177.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.91 5.4 50.56 Favored Glycine 0 N--CA 1.439 -1.13 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.821 175.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.9 mm -78.4 108.62 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 116.71 0.255 . . . . 0.0 110.896 -175.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.51 ' CE1' ' HB ' ' A' ' 45' ' ' ILE . 95.4 m-85 -71.48 122.96 21.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.814 0.34 . . . . 0.0 111.41 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 p -105.51 -27.51 11.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.723 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -140.0 117.84 11.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.236 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.69 HG22 ' HB3' ' A' ' 40' ' ' LEU . 94.7 t -124.14 135.45 63.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.701 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.427 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 13.1 t70 -81.76 149.45 28.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.53 0.681 . . . . 0.0 110.559 175.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.413 ' O ' HG21 ' A' ' 30' ' ' VAL . 18.8 m80 -58.79 -20.48 50.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.724 -1.125 . . . . 0.0 112.295 -173.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.427 ' HG3' ' OD1' ' A' ' 26' ' ' ASP . 91.1 mtt180 -66.31 -6.6 14.61 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.09 0.471 . . . . 0.0 111.18 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.445 ' SG ' HD22 ' A' ' 40' ' ' LEU . 44.8 t -60.24 -35.72 76.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.149 176.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.735 HG12 ' HA ' ' A' ' 36' ' ' GLN . 12.4 m -65.97 -33.29 62.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.547 -175.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.56 -51.4 9.35 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.901 0.381 . . . . 0.0 110.411 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 m -56.43 -55.76 29.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.839 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.0 m -133.86 20.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -168.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.0 -37.26 1.93 Allowed Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.36 -0.924 . . . . 0.0 114.416 174.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -70.55 137.16 49.88 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 121.421 0.629 . . . . 0.0 111.037 -173.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.735 ' HA ' HG12 ' A' ' 30' ' ' VAL . 50.2 mm-40 -75.99 154.24 84.78 Favored Pre-proline 0 C--N 1.31 -1.144 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 176.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.692 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 4.2 Cg_exo -44.37 -51.23 7.13 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 121.869 1.713 . . . . 0.0 110.978 175.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -59.77 -44.8 93.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.723 178.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -56.76 -33.87 67.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.762 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.69 ' HB3' HG22 ' A' ' 25' ' ' VAL . 13.9 tp -87.9 -25.62 23.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.735 -175.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 81.7 mt -59.45 117.77 5.24 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.465 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.74 -9.06 64.02 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.255 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -104.32 148.18 26.67 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.598 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 8.3 m120 -81.81 142.68 32.35 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.323 176.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.51 ' HB ' ' CE1' ' A' ' 22' ' ' PHE . 12.0 tt -62.47 -26.54 40.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.944 171.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.575 HG11 ' HB3' ' A' ' 44' ' ' ASN . 9.9 p -75.59 -23.8 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.659 178.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.598 ' HG2' ' HB2' ' A' ' 44' ' ' ASN . 62.6 mm-40 -71.5 -19.46 62.19 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.443 0.64 . . . . 0.0 110.179 178.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -120.61 33.93 5.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.553 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 48.9 t -108.81 143.76 37.55 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.496 176.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.637 ' NE2' ' HB2' ' A' ' 52' ' ' GLU . 49.5 t60 -49.14 117.71 6.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 167.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.422 ' HA ' ' CD ' ' A' ' 54' ' ' GLN . 86.6 Cg_exo -48.47 -32.96 21.91 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 124.126 3.217 . . . . 0.0 114.7 -171.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.637 ' HB2' ' NE2' ' A' ' 50' ' ' HIS . 32.5 mt-10 -81.98 -4.95 57.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.765 0.316 . . . . 0.0 111.261 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.451 ' CG ' ' HD2' ' A' ' 50' ' ' HIS . 84.4 m-20 -111.8 -1.23 15.66 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 176.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.422 ' CD ' ' HA ' ' A' ' 51' ' ' PRO . 66.8 mt-30 -68.65 -33.54 74.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.394 -178.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -72.17 -33.33 67.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.198 171.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.452 HD21 HG22 ' A' ' 74' ' ' VAL . 1.0 OUTLIER -59.58 -51.03 71.58 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.396 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.23 -49.43 77.64 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.678 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.635 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 61.2 ttt180 -50.0 -56.65 9.86 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.702 0.626 . . . . 0.0 110.39 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.28 -49.02 79.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.504 -177.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.5 m -71.07 -27.83 63.91 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.321 -171.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.4 ' O ' HG21 ' A' ' 65' ' ' VAL . 4.9 m-30 -69.3 -33.5 73.27 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 175.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.635 ' HG3' ' O ' ' A' ' 58' ' ' ARG . 28.6 mt-30 -61.29 -44.29 97.47 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.41 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 2.9 mp0 -57.5 -45.45 84.91 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.518 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 p -69.34 -29.66 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 119.901 -0.719 . . . . 0.0 111.215 -177.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.57 ' HA ' HG21 ' A' ' 94' ' ' THR . 89.3 t -74.21 -22.89 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.321 0.582 . . . . 0.0 110.121 176.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -91.9 -24.56 19.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.336 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.549 HD13 HD23 ' A' ' 72' ' ' LEU . 26.8 mt -77.77 -41.95 35.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.466 174.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.79 ' HG2' HD11 ' A' ' 103' ' ' ILE . 94.3 mttt 57.69 97.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.985 0.803 . . . . 0.0 113.048 174.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.56 2.97 72.18 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.186 176.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.468 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 26.1 mm-40 -110.91 142.02 43.55 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 92' ' ' SER . 7.2 p -77.59 124.1 35.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.33 0.586 . . . . 0.0 110.85 -178.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.549 HD23 HD13 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -114.24 113.76 25.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.48 -0.782 . . . . 0.0 108.978 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.426 ' HB3' ' HD2' ' A' ' 89' ' ' ARG . 47.4 m -94.16 121.16 35.37 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.593 -176.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.452 HG22 HD21 ' A' ' 56' ' ' LEU . 4.3 p -121.82 130.97 74.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.693 0.758 . . . . 0.0 110.247 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 21.1 ttt -115.25 126.08 54.1 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.377 -172.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -154.84 179.21 9.32 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.074 -172.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.579 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 44.1 mtt180 -98.83 109.9 22.59 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 177.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 85' ' ' TRP . 8.1 t80 -85.94 129.36 34.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.694 -176.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -84.14 97.91 9.61 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.062 0.458 . . . . 0.0 110.62 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.0 t -61.71 174.13 0.86 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.695 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.412 ' HD2' ' HA ' ' A' ' 81' ' ' LYS . 45.2 tptt -61.62 -15.02 35.7 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.154 0.502 . . . . 0.0 111.131 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -95.83 2.81 53.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.695 -177.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 67.63 31.36 6.11 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.242 -175.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -101.09 132.26 46.62 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.896 176.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.449 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 17.4 m0 -108.11 81.56 1.51 Allowed 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.632 -0.427 . . . . 0.0 109.934 -171.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.579 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.0 OUTLIER -88.06 171.27 10.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.944 -173.078 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -84.48 106.43 16.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.463 0.649 . . . . 0.0 111.118 -176.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.467 ' HE2' ' HB2' ' A' ' 88' ' ' MET . 0.0 OUTLIER -126.9 138.03 53.24 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.292 -176.854 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.426 ' HD2' ' HB3' ' A' ' 73' ' ' SER . 43.5 ttp180 -111.02 119.0 37.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.001 0.429 . . . . 0.0 110.02 177.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 97.9 m -94.9 123.19 38.23 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.711 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 9.0 m -91.91 115.29 27.93 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 176.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.482 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 3.6 m -95.07 123.0 38.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.688 -173.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 53.3 t80 -121.86 134.56 54.88 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 171.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.587 ' HB ' HD12 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -103.03 113.67 27.33 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.08 175.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.521 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 31.2 t80 -75.85 95.1 3.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.235 0.54 . . . . 0.0 111.175 -172.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.447 ' NE2' ' HB3' ' A' ' 68' ' ' LYS . 83.8 mt-30 . . . . . 0 N--CA 1.445 -0.676 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.249 169.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.79 HD11 ' HG2' ' A' ' 68' ' ' LYS . 51.8 mt . . . . . 0 CA--C 1.511 -0.549 0 CA-C-O 121.441 0.639 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.45 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 4.1 pt-20 -85.35 -37.64 19.67 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.122 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.432 ' CD2' ' HG3' ' A' ' 104' ' ' GLU . 22.5 p90 -167.19 177.58 6.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.498 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 63.1 mt -104.62 145.65 12.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.599 178.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.588 HG12 ' HG2' ' A' ' 15' ' ' ARG . 58.7 mt -115.27 113.25 42.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 174.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 91' ' ' SER . 22.3 p -109.66 126.18 53.39 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.372 0.606 . . . . 0.0 111.437 -174.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.433 ' HB ' ' HB2' ' A' ' 91' ' ' SER . 7.4 m -93.85 118.01 30.88 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 170.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -109.11 110.52 21.78 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.196 -172.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.0 m -114.57 130.16 56.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.082 -175.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -87.06 111.53 20.99 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 33.3 t . . . . . 0 C--N 1.323 -0.575 0 CA-C-O 121.069 0.461 . . . . 0.0 109.927 -178.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.442 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 31.8 Cg_exo . . . . . 0 CA--C 1.532 0.383 0 N-CA-C 111.744 -0.137 . . . . 0.0 111.744 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.3 p -89.15 31.7 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.375 0.607 . . . . 0.0 111.177 -179.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -140.2 134.29 30.93 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.626 ' HB3' ' HB2' ' A' ' 28' ' ' ARG . 32.2 p90 -139.35 141.54 37.64 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.303 0.573 . . . . 0.0 111.267 -178.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.6 mt -93.58 138.23 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.182 177.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 p -143.64 147.92 35.05 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.172 0.51 . . . . 0.0 111.76 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.455 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 7.7 mtp180 -110.48 121.31 45.0 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 175.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.571 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.4 OUTLIER -135.99 157.76 46.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.605 0.717 . . . . 0.0 112.625 -173.206 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.704 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 1.2 t-20 -69.04 148.31 50.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 113.804 -1.544 . . . . 0.0 109.761 176.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.501 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 35.7 pt -49.01 -29.71 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 O-C-N 124.519 1.137 . . . . 0.0 114.053 -170.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -81.91 -6.12 58.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.703 0.287 . . . . 0.0 111.471 -178.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.69 10.72 26.34 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.713 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.704 ' HB ' ' HB3' ' A' ' 17' ' ' ASN . 47.9 mm -81.11 123.08 37.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.999 0.399 . . . . 0.0 110.617 -174.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.603 ' CE2' ' HB ' ' A' ' 45' ' ' ILE . 63.3 m-85 -74.56 118.23 17.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.169 0.509 . . . . 0.0 111.469 -178.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.6 m -107.92 -31.56 7.94 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.12 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.455 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 89.5 t80 -145.74 125.89 13.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.123 176.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.58 137.56 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.758 0.313 . . . . 0.0 110.952 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.595 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 13.4 t70 -72.81 149.4 43.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.463 0.649 . . . . 0.0 111.338 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -50.1 -25.33 3.38 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.438 -1.255 . . . . 0.0 113.012 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.626 ' HB2' ' HB3' ' A' ' 12' ' ' PHE . 39.7 mtt180 -63.8 -12.46 35.87 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -175.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.5 t -56.1 -36.58 68.31 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.994 0.426 . . . . 0.0 111.688 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.748 HG13 ' HA ' ' A' ' 36' ' ' GLN . 5.2 m -64.96 -37.92 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 -175.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.2 -46.94 16.9 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.369 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.411 HG22 ' HB2' ' A' ' 112' ' ' ASN . 17.2 m -50.77 -50.19 56.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.498 177.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.62 HG11 ' CD1' ' A' ' 78' ' ' PHE . 18.4 m -132.27 -30.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -174.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.427 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 123.13 -26.11 6.2 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 119.827 -1.178 . . . . 0.0 113.362 -177.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.453 ' H ' HG23 ' A' ' 33' ' ' VAL . 24.3 m-85 -72.13 138.91 48.04 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.654 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.748 ' HA ' HG13 ' A' ' 30' ' ' VAL . 26.2 mm-40 -82.64 152.75 67.18 Favored Pre-proline 0 C--N 1.312 -1.037 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 174.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.7 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 80.1 Cg_exo -44.2 -50.53 7.63 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.004 1.802 . . . . 0.0 110.896 175.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -52.86 -50.76 63.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.605 178.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -62.73 -31.95 72.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.579 -174.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 tp -82.9 -27.73 30.46 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.383 -176.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 81.0 mt -59.36 111.78 1.5 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.641 178.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.88 -22.1 15.0 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.223 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.414 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 8.0 mmpt? -97.13 138.72 34.2 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.565 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 31.1 t-20 -75.92 140.11 41.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.917 175.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.603 ' HB ' ' CE2' ' A' ' 22' ' ' PHE . 14.7 tt -59.31 -26.94 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.635 175.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.411 HG13 ' CG ' ' A' ' 44' ' ' ASN . 2.5 p -77.78 -16.45 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.929 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.565 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 55.8 mm-40 -66.43 -42.9 87.02 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.363 0.601 . . . . 0.0 109.706 175.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.647 ' HB3' ' HB3' ' A' ' 79' ' ' ARG . 43.8 m-85 -100.29 23.54 9.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.962 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 47.4 t -97.09 134.88 39.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.381 173.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.895 ' HD1' ' HG2' ' A' ' 52' ' ' GLU . 15.7 t-80 -56.61 127.8 73.78 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.29 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -52.69 -19.32 10.34 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 123.925 3.083 . . . . 0.0 115.159 -171.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.895 ' HG2' ' HD1' ' A' ' 50' ' ' HIS . 11.8 pt-20 -92.88 -14.21 27.94 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.847 -0.533 . . . . 0.0 111.015 -177.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.696 ' OD1' ' HB3' ' A' ' 50' ' ' HIS . 0.6 OUTLIER -120.47 8.51 10.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.415 0.626 . . . . 0.0 110.145 -177.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -64.34 -32.4 73.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.818 173.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -63.22 -35.08 79.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.145 176.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.98 -48.31 79.39 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.345 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.442 HD21 ' HA ' ' A' ' 57' ' ' LEU . 17.4 mt -61.37 -40.5 94.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.747 176.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -59.98 -60.21 4.2 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.526 0.203 . . . . 0.0 110.563 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.672 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 26.6 t70 -61.17 -46.08 91.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.607 -177.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 98.0 p -65.05 -44.08 90.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.131 0.491 . . . . 0.0 111.384 -172.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.539 ' O ' HG23 ' A' ' 65' ' ' VAL . 10.2 m-30 -61.42 -39.97 92.72 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.202 178.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.523 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 9.3 mm100 -65.71 -40.77 92.57 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.711 176.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.672 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 84.8 mm-40 -63.04 -46.56 86.97 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.449 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 1.01 HG12 ' HG ' ' A' ' 92' ' ' SER . 7.8 p -67.7 -25.19 32.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.808 0.337 . . . . 0.0 111.121 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.781 ' HA ' HG22 ' A' ' 94' ' ' THR . 74.8 t -69.74 -32.87 53.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.54 0.686 . . . . 0.0 109.344 173.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 54.5 mtpt -80.12 -33.6 38.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.285 175.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 62.0 mt -86.03 30.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.704 -179.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.862 ' HG2' HD13 ' A' ' 103' ' ' ILE . 96.7 mttt -28.06 108.71 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.56 -21.91 31.6 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.865 174.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -90.88 138.04 31.9 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.647 0.261 . . . . 0.0 110.42 -176.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.57 124.51 36.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.121 0.486 . . . . 0.0 110.259 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.9 tp -124.84 114.35 19.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.997 -176.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 91' ' ' SER . 19.4 m -99.82 121.24 41.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.176 0.512 . . . . 0.0 111.08 -175.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.3 p -118.15 138.23 49.51 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.658 0 CA-C-O 121.861 0.838 . . . . 0.0 110.493 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 19.3 ttt -106.42 129.62 54.37 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.616 -175.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.472 ' CZ ' HD13 ' A' ' 45' ' ' ILE . 26.7 p90 -153.59 178.85 9.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.434 -176.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.737 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 17.4 mtt180 -105.83 110.42 22.71 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.64 0.257 . . . . 0.0 110.476 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.62 ' CD1' HG11 ' A' ' 33' ' ' VAL . 3.3 t80 -84.89 136.74 33.51 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.709 ' HG2' ' HA ' ' A' ' 83' ' ' GLN . 36.8 ttt180 -83.17 106.72 15.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.234 0.54 . . . . 0.0 111.148 179.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.483 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 29.7 t -53.94 166.54 0.35 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.105 170.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.427 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 23.9 tptp -65.23 -10.53 32.59 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.359 0.599 . . . . 0.0 110.354 177.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -90.97 -1.43 57.82 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.709 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 27.8 mm-40 65.94 27.72 10.75 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 113.687 -1.597 . . . . 0.0 110.853 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.595 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 34.3 mm-40 -91.43 164.12 13.94 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.573 171.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.471 ' CG ' ' HD2' ' A' ' 50' ' ' HIS . 73.2 m95 -117.81 88.35 2.9 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.463 -173.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.475 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.2 pp -93.96 168.58 10.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.43 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -88.65 130.97 35.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.269 0.556 . . . . 0.0 110.876 -176.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.516 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 1.4 ttp -141.7 132.49 25.76 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.844 173.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -107.56 111.25 23.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.574 0.702 . . . . 0.0 109.392 174.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.8 m -96.58 130.35 43.78 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.948 -177.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 47.6 m -95.2 128.05 41.73 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 1.01 ' HG ' HG12 ' A' ' 64' ' ' VAL . 9.2 t -103.1 156.54 17.62 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.476 0.655 . . . . 0.0 110.686 -176.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.48 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 70.9 t80 -151.91 135.34 16.05 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.391 -1.277 . . . . 0.0 108.338 176.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.781 HG22 ' HA ' ' A' ' 65' ' ' VAL . 1.3 p -102.43 106.38 17.11 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 120.996 0.426 . . . . 0.0 110.321 177.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.48 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 18.1 t80 -69.86 111.86 5.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.133 -175.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.077 -179.904 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.862 HD13 ' HG2' ' A' ' 68' ' ' LYS . 61.5 mt . . . . . 0 CA--C 1.51 -0.59 0 CA-C-O 121.504 0.669 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.427 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 1.0 OUTLIER -69.65 -48.35 60.17 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.19 -1.368 . . . . 0.0 109.424 -177.854 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -172.94 173.38 3.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.249 -176.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.571 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 44.6 mt -97.95 140.2 18.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 59.8 mt -112.79 108.85 26.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.0 p -106.47 117.46 34.1 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.237 0.541 . . . . 0.0 111.303 -176.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.0 m -93.66 120.43 33.92 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 173.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.516 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 35.4 m-80 -104.99 110.23 22.54 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -170.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 54.3 m -103.8 114.0 27.93 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.455 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.411 ' HB2' HG22 ' A' ' 32' ' ' THR . 3.0 t-20 -74.54 110.56 8.94 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.441 -0.888 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.839 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 22.9 Cg_exo . . . . . 0 CA--C 1.53 0.301 0 N-CA-C 111.688 -0.158 . . . . 0.0 111.688 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.54 34.09 0.76 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.512 0.672 . . . . 0.0 111.376 -175.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.41 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 26.9 tt0 -142.82 134.18 26.2 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 173.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -128.04 143.16 51.07 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.955 -178.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.1 mt -97.22 126.91 49.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.258 174.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.7 p -136.3 145.44 45.52 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.428 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.523 ' HD2' ' CE1' ' A' ' 105' ' ' TYR . 72.7 mtm180 -119.96 129.75 54.46 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.646 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 1.7 p-80 -134.82 162.39 32.51 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.144 0.497 . . . . 0.0 111.722 -174.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.27 154.2 39.06 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.5 pt -49.43 -27.61 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -168.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -73.23 -15.57 61.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.992 0.425 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.6 14.57 19.37 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.244 -176.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.6 mm -91.53 117.32 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 -175.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.456 ' CD2' ' HG ' ' A' ' 40' ' ' LEU . 88.4 m-85 -67.07 135.33 53.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.006 0.431 . . . . 0.0 111.729 -176.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.2 t -122.87 -28.39 4.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.08 177.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -139.8 121.84 15.71 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.481 176.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.7 t -124.72 133.72 68.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.239 178.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -83.58 148.92 26.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.395 0.617 . . . . 0.0 110.998 176.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.533 ' O ' HG22 ' A' ' 30' ' ' VAL . 51.9 m80 -48.56 -27.05 2.51 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 114.749 -1.114 . . . . 0.0 113.808 -174.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.839 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 77.7 mtt85 -61.78 -11.27 11.61 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -176.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 27.8 t -62.43 -33.32 74.57 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.761 0.315 . . . . 0.0 111.494 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 27' ' ' HIS . 30.3 m -60.35 -43.27 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.972 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.431 ' N ' HG21 ' A' ' 30' ' ' VAL . . . -74.54 -49.7 20.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.784 -176.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.2 m -53.26 -47.54 69.02 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.604 HG13 ' CD2' ' A' ' 78' ' ' PHE . 15.8 m -135.81 -29.15 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -173.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.94 -0.61 25.7 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 119.558 -1.306 . . . . 0.0 113.237 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.491 ' H ' HG21 ' A' ' 33' ' ' VAL . 17.9 m-85 -90.49 114.78 27.04 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.12 175.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.455 ' HA ' HG13 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -68.06 144.55 97.09 Favored Pre-proline 0 C--N 1.31 -1.145 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 173.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.724 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 59.7 Cg_exo -41.6 -44.75 6.35 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.766 2.311 . . . . 0.0 113.528 -174.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -59.94 -42.79 94.78 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.884 0.373 . . . . 0.0 111.067 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -73.24 -2.59 22.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.795 -172.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.456 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 15.1 tp -111.74 -25.48 9.47 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.894 0.378 . . . . 0.0 110.476 177.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.724 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 85.1 mt -62.24 130.5 45.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.563 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.34 -21.9 42.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.548 174.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -108.39 155.67 20.29 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.596 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 8.0 t-20 -81.77 147.01 29.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 -175.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.462 HG13 ' HE1' ' A' ' 78' ' ' PHE . 12.4 tt -59.68 -38.35 75.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.379 174.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.534 ' HA ' ' HB2' ' A' ' 49' ' ' CYS . 97.8 t -67.16 -23.2 30.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.059 -176.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.596 ' HG3' ' HB3' ' A' ' 44' ' ' ASN . 43.4 mt-10 -67.71 -32.16 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.268 0.556 . . . . 0.0 109.993 178.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -104.49 20.25 18.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.034 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.534 ' HB2' ' HA ' ' A' ' 46' ' ' VAL . 46.1 m -109.57 129.73 55.56 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.775 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -49.44 125.01 15.31 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.29 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -49.62 -24.28 9.24 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 124.174 3.249 . . . . 0.0 114.864 -174.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -85.93 -8.06 58.26 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 122.26 -0.275 . . . . 0.0 111.244 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -112.91 7.98 18.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.033 0.444 . . . . 0.0 110.374 -176.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.506 ' HG2' HG11 ' A' ' 46' ' ' VAL . 74.9 mt-30 -70.06 -31.3 68.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.914 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.29 -46.23 81.23 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.2 mt -51.64 -50.55 60.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.803 173.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.466 HD13 ' SG ' ' A' ' 49' ' ' CYS . 96.2 mt -61.01 -41.52 96.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.148 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.462 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 83.6 mtt180 -55.69 -60.5 3.36 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.175 0.512 . . . . 0.0 110.047 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.516 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 11.3 t70 -58.3 -46.32 86.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.918 -173.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 65.6 p -68.19 -50.32 55.02 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.378 0.608 . . . . 0.0 111.041 -175.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.58 ' O ' HG23 ' A' ' 65' ' ' VAL . 12.5 m-30 -65.2 -37.55 87.66 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.103 -176.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 3.5 pt20 -77.08 -30.23 55.36 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.047 0.451 . . . . 0.0 110.463 -177.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.516 ' HG3' ' O ' ' A' ' 59' ' ' ASP . 93.7 mt-30 -78.95 -30.64 44.69 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.087 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.414 HG11 ' HB3' ' A' ' 92' ' ' SER . 9.9 p -72.87 -23.6 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.221 176.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.697 ' HA ' HG23 ' A' ' 94' ' ' THR . 79.8 t -69.81 -33.9 58.13 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 170.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -76.32 -32.42 58.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.455 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.576 HD12 HD13 ' A' ' 72' ' ' LEU . 47.0 mt -91.42 30.11 1.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.772 -178.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.629 ' HG2' HD12 ' A' ' 103' ' ' ILE . 99.4 mttt -31.26 115.45 0.14 Allowed 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -179.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.9 -16.37 55.99 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.162 -0.927 . . . . 0.0 112.351 176.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.433 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 45.8 mt-30 -99.73 137.55 38.04 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.543 ' HA ' ' O ' ' A' ' 92' ' ' SER . 41.5 t -83.96 128.04 39.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.003 178.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.576 HD13 HD12 ' A' ' 67' ' ' LEU . 10.6 tp -114.95 123.0 47.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.061 -177.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.9 t -96.04 122.23 38.64 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.881 0.372 . . . . 0.0 111.023 -174.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.6 p -132.4 136.8 55.64 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.596 0 CA-C-O 121.725 0.774 . . . . 0.0 110.378 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 23.8 ttt -110.93 129.91 55.74 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.578 -174.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.438 ' HE2' ' HD1' ' A' ' 78' ' ' PHE . 32.4 p90 -154.08 178.92 9.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.725 -174.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 45.1 mtm180 -111.33 130.13 55.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.127 0.489 . . . . 0.0 111.2 178.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.604 ' CD2' HG13 ' A' ' 33' ' ' VAL . 10.5 t80 -105.86 146.61 29.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.594 -174.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -82.0 102.96 11.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.064 0.459 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.8 t -56.78 165.82 1.11 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.062 171.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -67.81 -9.05 41.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.702 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -98.96 6.94 46.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.765 178.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 68.57 19.5 8.64 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.319 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -95.93 155.15 16.87 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.428 ' O ' ' HD2' ' A' ' 77' ' ' ARG . 75.2 m95 -116.18 97.95 6.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.957 0.408 . . . . 0.0 110.542 -172.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.522 HD12 HG12 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -97.43 168.05 10.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.704 -175.038 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -89.63 123.65 33.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.864 -175.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 9.3 ptp -137.03 150.66 48.23 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.297 171.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 89' ' ' ARG . 39.2 ttm180 -118.36 114.31 22.74 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 176.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.4 m -94.86 134.75 37.15 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.678 -175.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.6 m -92.55 116.76 29.29 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.976 174.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.543 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 5.9 m -93.59 130.9 39.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.465 -174.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -135.53 135.42 40.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.587 173.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.697 HG23 ' HA ' ' A' ' 65' ' ' VAL . 2.4 p -104.96 113.17 26.6 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.458 176.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -75.2 126.16 30.44 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 -176.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 . . . . . 0 C--N 1.321 -0.656 0 CA-C-O 121.362 0.601 . . . . 0.0 112.112 -171.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.629 HD12 ' HG2' ' A' ' 68' ' ' LYS . 47.2 mm . . . . . 0 CA--C 1.513 -0.47 0 CA-C-O 120.734 0.302 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -74.08 -39.46 63.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.324 178.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.523 ' CE1' ' HD2' ' A' ' 15' ' ' ARG . 15.1 p90 -165.07 165.89 19.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.544 178.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.646 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 50.5 mt -104.8 141.53 20.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.442 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.402 HG12 ' HG2' ' A' ' 15' ' ' ARG . 62.0 mt -112.24 112.3 39.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.0 p -105.26 109.32 21.26 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.357 0.598 . . . . 0.0 110.959 -178.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.6 m -89.52 114.68 26.25 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 172.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -106.3 111.44 24.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.844 0.354 . . . . 0.0 110.233 -170.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.1 m -109.13 113.43 26.27 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.86 -176.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -82.45 131.64 35.22 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.448 -0.542 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.492 -176.896 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.811 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 23.7 Cg_exo . . . . . 0 N--CA 1.474 0.331 0 CA-C-O 120.655 0.19 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.5 m -83.9 10.6 9.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.606 0.717 . . . . 0.0 111.207 -174.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.633 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 8.5 pt-20 -126.42 134.36 51.02 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 173.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.416 ' CB ' ' HB2' ' A' ' 28' ' ' ARG . 37.9 p90 -119.88 143.05 48.14 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.296 -177.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.3 mt -93.55 115.06 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.067 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.9 t -108.11 132.32 53.71 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.744 -174.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.458 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 7.6 mpt_? -105.41 113.77 27.55 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 173.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.402 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -140.51 151.49 44.83 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.059 -174.007 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -77.02 158.9 30.29 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.506 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 35.3 pt -49.99 -28.4 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -167.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.534 ' HB2' HG12 ' A' ' 21' ' ' ILE . 39.1 mt-10 -70.01 -13.54 62.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.83 0.348 . . . . 0.0 111.046 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.99 7.8 46.36 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -174.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.534 HG12 ' HB2' ' A' ' 19' ' ' GLU . 29.1 mm -86.55 124.23 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 -173.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.589 ' CD2' ' HG ' ' A' ' 40' ' ' LEU . 90.8 m-85 -72.17 127.57 32.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.821 0.344 . . . . 0.0 111.484 -176.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 p -112.05 -35.2 5.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.041 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.458 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 70.8 t80 -144.67 121.84 11.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 0.0 110.113 177.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.443 ' HB ' ' HA ' ' A' ' 37' ' ' PRO . 90.4 t -122.23 137.73 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.939 0.4 . . . . 0.0 110.989 -177.158 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.608 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 11.6 t70 -81.42 149.23 28.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.75 176.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.49 ' O ' HG22 ' A' ' 30' ' ' VAL . 28.9 m170 -52.58 -20.71 3.19 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.811 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 90.5 mtt180 -57.47 -18.13 16.86 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.1 t -54.6 -35.01 62.91 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 27' ' ' HIS . 19.7 m -68.13 -31.39 51.53 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-O 120.888 0.375 . . . . 0.0 111.076 -178.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.9 -51.91 16.76 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.672 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.51 HG23 HG12 ' A' ' 33' ' ' VAL . 9.2 m -62.11 -56.07 22.55 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.578 HG11 ' CD1' ' A' ' 78' ' ' PHE . 16.6 m -136.78 22.91 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -170.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.35 -26.58 1.27 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 114.863 0.705 . . . . 0.0 114.863 172.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -70.91 146.04 49.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 117.58 0.69 . . . . 0.0 111.37 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.447 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -89.53 150.43 44.36 Favored Pre-proline 0 C--N 1.316 -0.869 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 172.464 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.749 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 84.9 Cg_exo -44.58 -51.2 7.4 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.347 2.032 . . . . 0.0 112.202 -178.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -54.94 -46.77 75.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.495 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.447 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 7.1 mm-40 -66.59 -22.38 66.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.782 -172.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.589 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 14.5 tp -90.45 -31.88 16.63 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.244 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.749 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 74.4 mt -60.41 120.39 9.8 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.94 -18.89 23.72 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.685 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.756 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -99.62 155.29 17.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.901 0.381 . . . . 0.0 110.62 178.746 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -90.69 144.06 26.11 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 170.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.476 HD12 ' HZ ' ' A' ' 76' ' ' PHE . 13.2 tt -57.89 -30.17 37.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.045 0.45 . . . . 0.0 110.031 175.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.478 HG13 ' HG2' ' A' ' 54' ' ' GLN . 95.4 t -61.66 -32.86 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.356 175.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.8 -35.29 80.13 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.09 0.472 . . . . 0.0 111.165 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -105.37 17.04 24.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.113 178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.44 ' SG ' ' HB2' ' A' ' 53' ' ' ASP . 38.9 t -94.44 132.83 38.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.782 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.464 ' HB3' ' OD2' ' A' ' 53' ' ' ASP . 60.5 t60 -45.01 126.18 5.37 Favored Pre-proline 0 CA--C 1.53 0.184 0 O-C-N 123.879 0.737 . . . . 0.0 110.189 174.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.423 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 86.2 Cg_exo -49.36 -25.44 10.15 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 124.001 3.134 . . . . 0.0 114.929 -170.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -84.98 -10.35 57.12 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.48 -178.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.464 ' OD2' ' HB3' ' A' ' 50' ' ' HIS . 38.3 m-20 -109.0 -5.04 16.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.732 0.301 . . . . 0.0 110.333 -172.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.478 ' HG2' HG13 ' A' ' 46' ' ' VAL . 75.9 mt-30 -59.46 -38.78 81.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.985 0.422 . . . . 0.0 111.799 -176.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -38.43 78.85 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.4 tt -61.89 -43.24 99.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.513 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.76 -41.67 95.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.895 176.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 69.6 mtt85 -58.26 -50.79 72.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.916 0.388 . . . . 0.0 110.278 178.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.669 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 29.5 t70 -63.59 -39.45 94.42 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.179 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.0 p -65.06 -43.83 91.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.511 0.672 . . . . 0.0 110.239 -175.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.537 ' O ' HG21 ' A' ' 65' ' ' VAL . 11.6 m-85 -68.27 -40.48 81.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.658 -179.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.516 ' HG2' ' HA ' ' A' ' 59' ' ' ASP . 7.5 pt20 -73.94 -29.26 61.92 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.681 -177.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.669 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 76.3 mm-40 -63.72 -44.81 92.47 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.831 176.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.427 HG11 ' O ' ' A' ' 61' ' ' PHE . 9.4 p -69.68 -24.25 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.662 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.537 HG21 ' O ' ' A' ' 61' ' ' PHE . 81.3 t -71.09 -32.09 46.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.452 0.644 . . . . 0.0 109.688 173.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -74.02 -38.54 64.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.228 174.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.48 ' HB3' ' HB3' ' A' ' 70' ' ' GLN . 93.1 mt -71.47 -55.63 7.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.47 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.509 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 98.4 mttt 58.6 98.39 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.613 0.72 . . . . 0.0 112.247 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.45 -20.4 37.36 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.37 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.652 ' HA ' HE21 ' A' ' 70' ' ' GLN . 0.0 OUTLIER -90.32 133.55 34.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 92' ' ' SER . 44.5 t -76.52 117.79 21.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.038 0.446 . . . . 0.0 109.95 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 67' ' ' LEU . 1.1 tm? -106.0 115.52 30.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.491 -175.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.3 p -89.42 122.25 32.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.795 0.331 . . . . 0.0 110.753 -178.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 p -118.74 130.27 73.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.274 0.559 . . . . 0.0 110.478 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 3.9 ttt -109.03 124.42 50.71 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.984 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.476 ' HZ ' HD12 ' A' ' 45' ' ' ILE . 15.4 p90 -160.07 179.0 9.12 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.078 -174.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.598 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 37.1 mtt180 -106.8 126.28 52.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.972 0.415 . . . . 0.0 111.272 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.578 ' CD1' HG11 ' A' ' 33' ' ' VAL . 4.4 t80 -103.95 144.05 32.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.371 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.583 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 4.3 ttm180 -81.43 107.18 13.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.026 0.441 . . . . 0.0 111.41 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.444 ' HB3' ' HB2' ' A' ' 84' ' ' GLU . 28.4 t -59.5 163.26 4.24 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.295 169.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -68.09 -10.78 56.62 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.424 176.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -94.5 6.79 47.73 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 177.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 64.02 34.03 11.72 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.576 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.583 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 16.0 mm-40 -90.01 173.65 8.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.122 -0.944 . . . . 0.0 109.02 170.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.433 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 73.0 m95 -139.78 87.25 2.15 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.598 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -97.27 160.24 14.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.296 0.569 . . . . 0.0 112.267 -171.785 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -78.97 122.2 25.87 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.874 -178.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 10.0 ptp -133.94 143.8 48.42 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.877 175.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.8 110.15 21.98 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.031 173.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 109' ' ' THR . 69.2 m -94.79 130.65 41.25 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.86 178.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.596 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 12.7 p -93.55 126.44 38.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.733 176.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 4.6 m -103.36 128.89 50.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.825 0.345 . . . . 0.0 111.327 -176.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.415 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 35.0 t80 -133.89 135.4 43.62 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.327 172.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.645 ' HB ' HD12 ' A' ' 103' ' ' ILE . 30.3 p -94.15 108.74 20.57 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.488 177.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.415 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 3.1 t80 -77.97 98.83 5.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.165 0.507 . . . . 0.0 109.782 -177.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.711 ' HG2' HD11 ' A' ' 103' ' ' ILE . 52.5 mt-30 . . . . . 0 C--N 1.32 -0.683 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.538 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.711 HD11 ' HG2' ' A' ' 96' ' ' GLN . 11.6 mm . . . . . 0 CA--C 1.512 -0.481 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.86 -35.09 79.24 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.066 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.465 ' HE1' HD13 ' A' ' 107' ' ' ILE . 6.9 p90 -173.74 169.62 4.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.842 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 53.3 mt -98.57 143.79 12.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.278 177.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.465 HD13 ' HE1' ' A' ' 105' ' ' TYR . 34.0 mm -110.1 115.77 50.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 91' ' ' SER . 67.8 m -129.04 127.16 40.99 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.026 0.441 . . . . 0.0 111.595 -175.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 90' ' ' THR . 24.5 m -99.01 125.72 44.55 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 172.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -105.21 110.77 23.26 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -175.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.3 m -109.3 110.03 21.09 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.169 -173.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -81.09 114.02 19.66 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.449 -174.358 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.469 ' HG2' ' NH1' ' A' ' 28' ' ' ARG . 37.8 Cg_exo . . . . . 0 C--O 1.232 0.178 0 N-CA-C 111.222 -0.338 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.47 ' C ' ' HG1' ' A' ' 32' ' ' THR . 0.2 OUTLIER -85.43 16.2 3.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.13 0.491 . . . . 0.0 111.783 -171.866 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -125.02 134.64 52.49 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 173.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -129.07 144.31 51.15 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.719 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.541 HG12 HG23 ' A' ' 109' ' ' THR . 62.4 mt -100.35 126.6 53.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.207 176.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.6 p -132.54 146.69 52.11 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.192 0.52 . . . . 0.0 110.81 -177.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.545 ' HG2' HG12 ' A' ' 107' ' ' ILE . 55.3 mtm180 -119.7 132.07 55.56 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.428 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -141.45 149.44 40.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.373 -170.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -71.7 158.4 36.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.395 -178.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.8 pt -50.47 -26.66 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 -167.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -75.57 -10.61 59.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.873 0.368 . . . . 0.0 111.385 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.9 8.46 36.69 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 116.02 -0.537 . . . . 0.0 112.034 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.6 mm -84.81 117.05 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 120.374 0.131 . . . . 0.0 111.215 -172.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.491 ' CE2' ' HB ' ' A' ' 45' ' ' ILE . 96.0 m-85 -68.61 128.31 36.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.9 0.381 . . . . 0.0 111.319 -177.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 t -117.71 -25.86 6.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.588 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -142.07 123.94 15.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.345 177.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.426 ' CG1' ' HB2' ' A' ' 29' ' ' CYS . 92.7 t -136.12 137.27 48.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 120.696 0.284 . . . . 0.0 110.968 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -82.76 149.37 27.28 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 174.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.578 ' HA ' ' CG ' ' A' ' 37' ' ' PRO . 47.2 m80 -56.47 -14.98 3.46 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.969 0.908 . . . . 0.0 113.209 -171.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.469 ' NH1' ' HG2' ' A' ' 9' ' ' PRO . 36.4 mtt-85 -64.96 -12.96 55.71 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.893 0.377 . . . . 0.0 110.593 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.428 ' O ' HG23 ' A' ' 33' ' ' VAL . 42.2 t -50.97 -38.67 52.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.316 176.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.544 HG13 ' HA ' ' A' ' 36' ' ' GLN . 3.9 m -65.08 -34.11 68.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.721 -176.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.23 -51.24 9.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.744 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.47 ' HG1' ' C ' ' A' ' 10' ' ' THR . 6.0 m -58.6 -54.28 48.88 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 177.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.663 ' O ' ' HA ' ' A' ' 80' ' ' SER . 9.7 m -121.08 -15.4 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -169.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.32 -35.97 4.59 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 119.213 -1.47 . . . . 0.0 113.101 177.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.472 ' H ' HG22 ' A' ' 33' ' ' VAL . 23.7 m-85 -71.02 143.75 50.66 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.939 0.399 . . . . 0.0 109.937 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.544 ' HA ' HG13 ' A' ' 30' ' ' VAL . 32.9 mm-40 -74.68 147.15 84.2 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 175.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.641 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 76.2 Cg_exo -48.6 -51.29 10.59 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 121.745 1.63 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -53.48 -46.6 70.05 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.209 -1.36 . . . . 0.0 112.194 175.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.476 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 24.1 mm-40 -61.51 -30.75 70.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.987 0.423 . . . . 0.0 110.788 -177.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 tp -83.45 -28.73 28.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.706 -177.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 79.4 mt -58.5 119.8 7.67 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.675 -179.001 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.84 -12.5 56.28 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.037 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.79 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -102.82 157.67 16.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.867 0.365 . . . . 0.0 110.468 178.407 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.551 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 13.1 t-20 -92.19 144.86 24.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.626 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.492 HD13 ' CZ ' ' A' ' 76' ' ' PHE . 14.2 tt -62.96 -25.84 39.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.479 176.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.5 p -74.46 -23.12 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.747 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.551 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 59.9 mm-40 -63.59 -36.31 83.37 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.411 0.625 . . . . 0.0 109.915 177.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -111.04 18.23 19.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.363 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 39.3 t -89.04 138.09 31.73 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.682 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.554 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 55.7 t60 -48.81 123.6 11.99 Favored Pre-proline 0 C--N 1.334 -0.1 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.799 172.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -49.62 -27.25 14.34 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 124.134 3.223 . . . . 0.0 114.467 -172.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -88.48 -6.45 57.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -114.23 -1.36 13.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.333 . . . . 0.0 110.113 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -65.94 -39.05 90.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.481 -175.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.516 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 22.9 tm0? -73.03 -33.74 65.9 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.08 -41.72 93.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.103 176.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.425 HD21 HG22 ' A' ' 74' ' ' VAL . 24.8 mt -64.06 -40.27 95.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.819 175.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 41.8 mtt180 -51.11 -61.41 2.24 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.341 0.591 . . . . 0.0 110.489 175.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.525 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 40.5 t0 -58.28 -41.09 83.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.392 -1.277 . . . . 0.0 111.131 -174.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m -75.79 -37.2 59.42 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.546 -175.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.534 ' O ' HG13 ' A' ' 64' ' ' VAL . 11.1 m-30 -72.26 -36.47 69.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.921 0.391 . . . . 0.0 110.472 -178.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 13.3 pt20 -71.04 -27.99 64.05 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.052 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 59' ' ' ASP . 73.9 mt-30 -71.01 -33.54 70.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.9 177.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 61' ' ' PHE . 7.3 p -73.91 -25.43 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.002 176.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.552 ' HA ' HG23 ' A' ' 94' ' ' THR . 67.4 t -71.95 -28.05 29.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.392 0.615 . . . . 0.0 109.382 171.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 28.3 mtpp -78.08 -38.24 44.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.988 176.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.529 HD12 HD22 ' A' ' 72' ' ' LEU . 58.6 mt -73.05 -53.03 12.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.457 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.561 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 93.7 mttt 60.39 90.06 0.06 Allowed 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.803 0.689 . . . . 0.0 112.188 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.13 -22.02 21.45 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.044 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.511 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 8.1 tp-100 -94.14 140.9 29.17 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -77.23 124.55 35.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.32 0.581 . . . . 0.0 110.894 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.529 HD22 HD12 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -109.67 118.94 37.89 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 p -95.74 120.88 36.78 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.083 0.468 . . . . 0.0 110.789 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.425 HG22 HD21 ' A' ' 57' ' ' LEU . 6.3 p -124.21 131.64 72.55 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.643 0 CA-C-O 121.749 0.785 . . . . 0.0 110.529 178.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 10.0 ttt -107.91 120.72 43.07 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.78 -176.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.592 ' HE1' ' HG1' ' A' ' 90' ' ' THR . 11.1 p90 -148.66 178.46 8.62 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -175.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.557 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 62.9 mtt180 -111.72 120.85 43.4 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.589 177.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.64 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 3.3 t80 -86.17 148.54 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.694 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 33.8 ttp180 -84.77 109.33 17.99 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.558 177.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.663 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 31.4 t -57.09 166.13 1.15 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.771 174.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -65.3 -8.36 17.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.797 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -103.18 5.97 38.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.567 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 1.9 mp0 70.19 52.33 0.37 Allowed 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 122.69 1.233 . . . . 0.0 108.504 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.694 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -121.5 161.69 21.84 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 112.707 -2.042 . . . . 0.0 109.346 -171.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.422 ' CZ3' ' HA ' ' A' ' 50' ' ' HIS . 57.8 m95 -122.71 92.1 3.64 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.468 0.651 . . . . 0.0 111.23 -173.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -102.77 159.27 15.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.495 -176.67 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -85.22 130.38 34.62 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -174.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.64 ' SD ' ' HB2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -145.38 140.26 27.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.253 168.351 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -100.92 118.72 37.5 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 171.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.592 ' HG1' ' HE1' ' A' ' 76' ' ' PHE . 84.8 m -96.4 132.01 42.36 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.888 -178.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.4 m -90.25 115.08 27.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.436 174.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.44 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 2.7 m -95.76 131.42 42.07 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.551 -176.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.475 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 58.7 t80 -137.81 134.46 35.2 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.561 ' OG1' ' HA ' ' A' ' 68' ' ' LYS . 0.7 OUTLIER -95.62 112.23 24.0 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.065 0.46 . . . . 0.0 110.086 177.067 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.475 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 0.8 OUTLIER -79.88 95.03 5.95 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.297 0.57 . . . . 0.0 111.005 -171.787 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 . . . . . 0 N--CA 1.446 -0.631 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.215 171.301 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 54.5 mt . . . . . 0 CA--C 1.517 -0.289 0 CA-C-O 121.033 0.444 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -88.03 -39.07 14.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.218 176.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -173.85 -172.32 0.73 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.857 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.428 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 36.1 mt -107.59 148.74 11.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.677 178.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.545 HG12 ' HG2' ' A' ' 15' ' ' ARG . 57.8 mt -113.82 133.04 61.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 6.1 p -137.38 119.6 15.64 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.389 0.614 . . . . 0.0 111.888 -177.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.541 HG23 HG12 ' A' ' 13' ' ' ILE . 6.8 m -94.64 136.23 35.19 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 171.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -121.91 110.54 15.98 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.219 -171.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 32.5 m -105.64 123.0 47.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.615 -176.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -76.92 121.02 22.85 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -179.794 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 111.849 -0.5 . . . . 0.0 111.849 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.08 65.4 1.1 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.187 0.517 . . . . 0.0 111.639 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.4 mmt -97.64 146.23 25.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.285 177.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -71.21 -27.28 63.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.252 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.421 ' O ' ' HB ' ' A' ' 6' ' ' VAL . 39.9 m-80 57.22 33.02 22.69 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.758 0.661 . . . . 0.0 110.328 -178.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.521 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 99.2 t 74.37 122.98 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 O-C-N 124.157 0.911 . . . . 0.0 109.967 -171.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.0 p -49.65 128.85 18.64 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.54 0.686 . . . . 0.0 111.712 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.813 ' HB3' ' HG2' ' A' ' 28' ' ' ARG . 29.6 mm-40 -118.38 162.55 29.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.17 -172.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.625 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 37.4 Cg_exo -61.63 164.42 15.88 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 123.067 2.512 . . . . 0.0 111.824 168.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -90.23 25.91 2.06 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.381 0.61 . . . . 0.0 111.525 -175.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.637 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 34.0 tt0 -134.93 134.9 41.1 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 172.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -131.65 159.43 38.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.188 0.518 . . . . 0.0 111.636 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.9 mm -117.94 135.91 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.455 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.7 m -140.62 143.06 35.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.969 0.414 . . . . 0.0 111.434 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -99.66 126.04 45.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 174.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.656 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -140.95 149.49 41.9 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.469 -0.892 . . . . 0.0 112.859 -175.793 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.799 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 2.6 t-20 -62.86 146.94 51.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 113.733 -1.576 . . . . 0.0 109.319 173.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.418 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 27.1 pt -56.58 -21.75 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -170.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -84.68 2.1 43.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.308 0.575 . . . . 0.0 110.357 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.82 5.04 45.12 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.807 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.799 ' HB ' ' HB3' ' A' ' 17' ' ' ASN . 43.8 mm -78.94 115.12 20.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 CA-C-N 116.874 0.337 . . . . 0.0 110.982 -173.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.482 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 93.0 m-85 -69.84 121.72 17.83 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.111 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 m -100.39 -38.26 8.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.406 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -146.96 128.24 14.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.195 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.568 HG23 ' HB2' ' A' ' 40' ' ' LEU . 85.5 t -124.87 136.88 59.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.585 -177.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -82.8 148.17 27.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.084 175.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -56.37 -15.71 4.49 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 -171.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.813 ' HG2' ' HB3' ' A' ' 8' ' ' GLN . 84.6 mtm180 -64.75 -5.86 6.74 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 8.9 p -61.19 -35.28 76.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.437 176.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.9 t -68.2 -41.66 84.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.827 -176.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.56 -50.37 38.15 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.432 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.6 m -60.04 -55.06 38.63 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.529 HG13 ' CD1' ' A' ' 78' ' ' PHE . 11.5 m -137.69 26.48 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -170.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.71 -23.3 0.52 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 114.578 0.591 . . . . 0.0 114.578 173.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.43 ' HD1' ' HD3' ' A' ' 81' ' ' LYS . 10.7 m-30 -73.66 147.04 44.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.344 0.592 . . . . 0.0 110.827 -172.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -89.36 159.14 45.08 Favored Pre-proline 0 C--N 1.311 -1.104 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.607 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 52.9 Cg_exo -51.79 -46.52 31.58 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 121.605 1.537 . . . . 0.0 110.549 178.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -56.11 -37.12 68.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.233 -1.349 . . . . 0.0 111.504 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -63.14 -32.61 74.03 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.968 -172.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.568 ' HB2' HG23 ' A' ' 25' ' ' VAL . 3.0 mm? -85.59 -30.35 23.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.444 -178.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 55.3 mt -61.62 107.03 0.74 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.059 0.457 . . . . 0.0 111.575 -172.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.21 -5.49 33.89 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.135 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.881 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 11.0 mmpt? -106.82 154.08 21.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.632 0.253 . . . . 0.0 110.834 -179.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.569 ' HB3' HG11 ' A' ' 46' ' ' VAL . 10.0 m120 -84.0 137.21 33.72 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 170.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.482 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 13.9 tt -59.17 -20.46 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.159 0.505 . . . . 0.0 110.165 172.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.569 HG11 ' HB3' ' A' ' 44' ' ' ASN . 8.7 p -76.57 -15.49 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.563 ' HG3' ' HB2' ' A' ' 44' ' ' ASN . 46.1 mt-10 -74.21 -34.89 63.85 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.316 0.579 . . . . 0.0 109.926 176.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -101.33 11.78 38.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.235 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.467 ' HG ' ' CD1' ' A' ' 57' ' ' LEU . 52.5 t -89.51 139.17 30.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.409 177.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.87 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 17.4 t-80 -48.78 123.91 12.13 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.441 174.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.56 -18.99 9.34 Favored 'Trans proline' 0 N--CA 1.478 0.565 0 C-N-CA 123.866 3.044 . . . . 0.0 114.662 -173.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -94.31 -6.41 44.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.15 -0.344 . . . . 0.0 111.383 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -124.25 3.66 8.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.862 0.363 . . . . 0.0 110.303 -175.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.421 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 79.0 mt-30 -63.6 -39.68 95.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.049 0.452 . . . . 0.0 110.615 -177.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -72.29 -32.74 66.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.461 176.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.5 tp -59.35 -44.26 92.68 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.283 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' A' ' 49' ' ' CYS . 14.5 mt -61.69 -46.41 89.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.551 174.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.564 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 66.4 ttt180 -56.92 -54.01 51.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.476 -177.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -55.44 -44.98 76.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.282 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.0 m -73.5 -35.32 65.62 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.306 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.459 ' O ' HG22 ' A' ' 65' ' ' VAL . 6.5 m-30 -66.36 -34.6 78.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.296 0.57 . . . . 0.0 109.793 177.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 16.8 mm100 -65.55 -36.19 83.07 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.74 176.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -73.85 -32.71 63.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.609 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.452 HG11 ' O ' ' A' ' 61' ' ' PHE . 10.5 p -69.49 -29.2 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.529 175.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 61' ' ' PHE . 55.2 t -74.76 -21.5 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.374 0.607 . . . . 0.0 109.781 173.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.555 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 56.2 mtpt -79.46 -45.45 19.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.54 174.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.452 ' CD1' HD11 ' A' ' 72' ' ' LEU . 73.6 mt -68.42 -50.86 49.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.005 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.47 ' HB3' ' OE1' ' A' ' 96' ' ' GLN . 97.3 mttt 61.93 98.46 0.03 OUTLIER 'General case' 0 C--O 1.236 0.386 0 O-C-N 123.988 0.805 . . . . 0.0 112.299 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.89 -17.91 53.55 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.277 176.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.411 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 5.8 tp-100 -91.8 137.61 32.22 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 92' ' ' SER . 4.6 p -76.69 120.54 27.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-O 121.45 0.643 . . . . 0.0 109.777 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.452 HD11 ' CD1' ' A' ' 67' ' ' LEU . 16.0 tp -117.45 116.03 26.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.431 -175.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.407 ' HB2' ' HD2' ' A' ' 89' ' ' ARG . 59.3 p -89.38 125.21 35.05 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.08 0.467 . . . . 0.0 111.104 -174.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.7 p -126.01 133.27 69.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.527 0.68 . . . . 0.0 109.929 174.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.7 ttt -112.76 127.57 56.19 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.322 -173.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.423 ' CD1' HD23 ' A' ' 57' ' ' LEU . 11.7 p90 -152.28 179.22 8.72 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.299 -173.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.87 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 75.6 mtt180 -104.97 116.41 31.91 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 176.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.529 ' CD1' HG13 ' A' ' 33' ' ' VAL . 8.6 t80 -90.37 136.52 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.706 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 43.9 ttp180 -82.9 102.59 11.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.151 0.5 . . . . 0.0 110.815 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.689 ' HB3' ' HG2' ' A' ' 84' ' ' GLU . 48.4 t -62.64 175.17 0.84 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.866 174.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.43 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 44.7 tptt -70.81 3.08 3.49 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.438 0.637 . . . . 0.0 110.768 -178.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' A' ' 80' ' ' SER . 72.5 m-20 -106.94 7.07 29.77 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.486 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 2.3 mp0 61.69 31.77 18.53 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.138 -1.392 . . . . 0.0 109.816 176.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.706 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 15.6 pt-20 -100.13 160.18 14.52 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 113.747 -1.57 . . . . 0.0 109.343 177.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.521 ' CH2' ' HD3' ' A' ' 79' ' ' ARG . 59.7 m95 -116.76 84.25 2.11 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.359 0.599 . . . . 0.0 110.306 -176.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -90.44 160.69 15.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.168 -176.071 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -85.83 112.31 20.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.281 0.563 . . . . 0.0 111.721 -173.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.619 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 1.4 ttp -125.94 139.32 53.54 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.532 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.407 ' HD2' ' HB2' ' A' ' 73' ' ' SER . 51.6 ttp180 -108.26 118.32 36.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.852 175.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.1 m -95.02 124.49 39.09 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.492 176.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.493 ' HB2' ' HB ' ' A' ' 109' ' ' THR . 68.1 m -92.0 118.71 31.04 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 172.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 6.3 m -91.51 132.9 35.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.891 -171.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -138.82 135.67 34.83 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.363 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.587 ' HB ' HD12 ' A' ' 103' ' ' ILE . 32.3 p -105.52 115.72 30.73 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 176.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -77.89 105.2 8.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.02 0.438 . . . . 0.0 109.946 -177.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.47 ' OE1' ' HB3' ' A' ' 68' ' ' LYS . 54.4 mt-30 -103.42 143.38 32.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.141 -178.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.439 ' C ' ' H ' ' A' ' 99' ' ' TYR . 50.0 m-80 -98.17 111.09 58.66 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.159 170.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.71 32.19 0.19 Allowed 'Trans proline' 0 N--CA 1.475 0.412 0 C-N-CA 123.881 3.054 . . . . 0.0 113.979 -173.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.439 ' H ' ' C ' ' A' ' 97' ' ' ASN . 10.6 m-85 -115.71 -42.44 3.11 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.7 t -117.21 1.43 12.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.908 176.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 59.37 26.38 15.25 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.143 -178.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -95.76 156.62 16.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.79 -175.29 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.587 HD12 ' HB ' ' A' ' 94' ' ' THR . 90.8 mt -107.9 126.81 64.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.03 178.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -82.95 -41.13 19.19 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.984 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -164.37 168.3 18.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.693 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.656 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 55.9 mt -99.39 147.57 7.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 174.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.6 mt -109.96 115.59 50.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 54.7 m -90.01 102.8 15.51 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.816 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.493 ' HB ' ' HB2' ' A' ' 91' ' ' SER . 46.9 m -90.09 109.63 20.68 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 168.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.619 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 6.0 m-20 -112.65 110.66 20.94 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.995 0.426 . . . . 0.0 110.865 -169.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.1 m -112.95 115.53 28.56 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.942 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -85.49 125.88 33.39 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.45 ' HB ' ' H ' ' A' ' 114' ' ' LYS . 9.8 t -101.75 -90.33 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.262 -175.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.45 ' H ' ' HB ' ' A' ' 113' ' ' VAL . 58.1 mtpt -88.66 172.54 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.631 0.729 . . . . 0.0 111.617 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -134.94 154.03 51.85 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.717 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.2 t -145.67 43.59 1.27 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.145 0.498 . . . . 0.0 109.985 -175.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.402 ' CB ' ' HB2' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -164.16 -43.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -174.352 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -79.33 78.99 5.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.687 0.279 . . . . 0.0 111.25 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.531 -179.859 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.654 ' HB3' ' HG2' ' A' ' 38' ' ' GLN . . . -136.98 144.78 43.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.534 0.207 . . . . 0.0 110.487 179.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.8 ptm 175.71 -32.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.334 -177.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -83.45 74.87 10.05 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.611 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -109.31 113.71 26.77 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.524 -173.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.0 p -148.95 152.13 12.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.21 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.5 m 66.47 45.8 2.04 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.53 0.519 . . . . 0.0 111.844 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.761 ' HG3' ' HA ' ' A' ' 28' ' ' ARG . 5.5 pm0 -118.63 142.79 32.2 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.233 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -66.36 163.8 30.77 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.485 2.79 . . . . 0.0 112.116 175.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.57 6.66 9.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.69 -176.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.795 ' HG2' ' HA ' ' A' ' 111' ' ' THR . 45.9 mt-10 -110.61 134.77 52.11 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 173.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -116.07 134.62 54.75 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.447 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 13' ' ' ILE . 4.5 mp -105.98 127.65 60.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.196 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.2 m -140.07 148.23 41.46 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.521 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -105.44 122.58 46.29 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.557 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.4 OUTLIER -131.33 152.62 50.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.72 0.771 . . . . 0.0 112.464 -172.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.61 148.81 51.12 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 113.596 -1.638 . . . . 0.0 109.656 178.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.2 pt -52.68 -21.48 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -170.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -87.12 -3.59 59.08 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.936 0.398 . . . . 0.0 110.783 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.79 13.79 28.78 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.916 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.3 mm -91.14 123.78 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 116.961 0.381 . . . . 0.0 111.039 -175.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.417 ' HE2' ' HA ' ' A' ' 45' ' ' ILE . 96.7 m-85 -74.65 120.33 20.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.888 0.375 . . . . 0.0 110.925 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.6 p -110.08 -30.41 7.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.079 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -139.07 119.84 14.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.195 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.8 t -127.5 135.94 61.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.748 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -89.21 150.93 22.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.158 0.504 . . . . 0.0 110.602 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.438 ' O ' HG22 ' A' ' 30' ' ' VAL . 72.9 m80 -54.63 -15.21 1.65 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -171.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.761 ' HA ' ' HG3' ' A' ' 8' ' ' GLN . 50.1 mtt180 -62.15 -12.06 17.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.967 0.413 . . . . 0.0 110.82 177.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 32.5 t -50.61 -40.04 51.7 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.954 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 27' ' ' HIS . 19.4 m -67.21 -34.38 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 111.612 -175.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.688 ' HB2' HE21 ' A' ' 8' ' ' GLN . . . -69.82 -51.9 29.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.681 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.404 HG22 ' HE1' ' A' ' 88' ' ' MET . 3.3 m -69.13 -53.86 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.632 HG12 ' HE1' ' A' ' 88' ' ' MET . 18.4 m -123.75 9.76 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -168.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.2 -30.38 1.61 Allowed Glycine 0 CA--C 1.523 0.556 0 C-N-CA 120.666 -0.778 . . . . 0.0 113.94 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.435 ' HD1' ' HD3' ' A' ' 81' ' ' LYS . 22.9 m-85 -70.9 147.75 48.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.273 0.558 . . . . 0.0 111.276 -174.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.628 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 75.8 mm-40 -79.79 146.95 65.57 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 169.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.685 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 88.1 Cg_exo -46.48 -46.32 17.58 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 121.996 1.798 . . . . 0.0 111.357 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.654 ' HG2' ' HB3' ' A' ' 2' ' ' ALA . 21.2 mm-40 -54.94 -49.85 70.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.416 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.628 ' HG3' ' HB2' ' A' ' 36' ' ' GLN . 37.3 mt-10 -62.18 -29.23 70.22 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.948 -175.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 tp -83.89 -28.94 27.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.5 -177.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 75.1 mt -62.6 106.63 0.81 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.053 0.454 . . . . 0.0 110.913 178.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.91 -13.15 12.99 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.207 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.767 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -99.38 152.72 19.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.841 0.353 . . . . 0.0 110.276 177.287 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.538 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 9.4 t-20 -86.77 141.7 28.67 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 173.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.42 HG12 ' SG ' ' A' ' 49' ' ' CYS . 13.2 tt -55.95 -42.04 69.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.576 176.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.5 t -63.07 -25.02 37.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 122.842 0.457 . . . . 0.0 111.701 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.538 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 35.2 mm-40 -68.56 -29.6 68.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.48 0.657 . . . . 0.0 110.324 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -100.84 13.23 35.69 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.083 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.42 ' SG ' HG12 ' A' ' 45' ' ' ILE . 75.3 m -105.93 120.9 42.94 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.239 172.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' A' ' 77' ' ' ARG . 7.7 p80 -62.21 153.26 75.78 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.001 0.429 . . . . 0.0 111.195 -172.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -47.0 -54.16 5.35 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 124.329 3.353 . . . . 0.0 115.179 -160.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -78.86 -4.93 52.1 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -170.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -102.25 -6.2 23.42 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.05 0.452 . . . . 0.0 109.943 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -65.96 -34.64 78.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.775 -177.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -66.58 -40.06 88.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.747 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.6 mt -57.17 -50.62 72.25 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.437 175.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.1 mt -62.81 -38.79 92.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.646 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.568 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 94.7 mtt180 -57.33 -58.84 6.5 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.785 176.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.627 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 9.0 t70 -61.46 -43.15 99.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.73 -176.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' A' ' 63' ' ' GLN . 79.1 p -70.55 -41.69 72.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.231 0.538 . . . . 0.0 111.383 -174.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.46 ' O ' HG22 ' A' ' 65' ' ' VAL . 5.0 m-85 -61.85 -35.23 77.67 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.948 174.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 32.1 mm-40 -65.39 -38.35 89.71 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 174.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.627 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 34.4 mm-40 -58.45 -48.88 79.3 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.34 179.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.805 HG13 ' HG ' ' A' ' 92' ' ' SER . 10.2 p -69.21 -25.32 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.191 -177.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.611 ' HA ' HG22 ' A' ' 94' ' ' THR . 57.0 t -71.71 -42.9 70.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.831 0.348 . . . . 0.0 110.202 177.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -77.52 -18.9 56.57 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.633 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 37.5 mt -73.65 -56.9 4.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.924 174.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.761 ' HG2' HD12 ' A' ' 103' ' ' ILE . 98.6 mttt 62.12 96.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.267 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.44 -6.34 57.59 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.927 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.492 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 27.6 mm-40 -103.09 137.99 40.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.591 0.234 . . . . 0.0 110.663 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 92' ' ' SER . 60.5 t -77.33 123.82 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.186 178.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.42 HD21 ' CD1' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -113.78 121.2 43.33 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -177.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.3 m -100.0 121.67 41.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.991 0.424 . . . . 0.0 110.905 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.4 p -134.23 136.67 52.96 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.752 0 CA-C-O 121.51 0.672 . . . . 0.0 110.214 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.6 ttt -113.06 134.08 54.69 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.751 -172.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.455 ' HE1' ' OG1' ' A' ' 90' ' ' THR . 30.0 p90 -155.61 179.77 8.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.482 -174.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.585 ' HB2' ' CD2' ' A' ' 50' ' ' HIS . 14.6 mtt180 -112.75 122.86 48.89 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 177.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.434 ' HD2' ' CE2' ' A' ' 76' ' ' PHE . 6.8 t80 -100.44 151.46 21.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.838 -175.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -90.29 115.57 27.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.633 0.254 . . . . 0.0 110.681 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.461 ' HB3' ' CG ' ' A' ' 84' ' ' GLU . 32.4 t -74.17 179.42 4.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.954 0.407 . . . . 0.0 111.038 177.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.435 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 22.2 tptm -68.37 -10.78 57.43 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.345 0.593 . . . . 0.0 110.304 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -99.08 6.74 46.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.673 -177.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 64.59 21.64 12.47 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.77 -178.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.461 ' CG ' ' HB3' ' A' ' 80' ' ' SER . 10.4 pt-20 -92.28 158.1 16.3 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.395 174.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.485 ' CE3' ' HB3' ' A' ' 50' ' ' HIS . 94.8 m95 -114.94 107.29 15.2 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.831 0.348 . . . . 0.0 110.404 -177.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -109.22 155.44 21.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.008 0.433 . . . . 0.0 111.868 -178.056 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -84.36 127.0 33.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.941 -176.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.632 ' HE1' HG12 ' A' ' 33' ' ' VAL . 18.1 ptp -145.39 150.47 36.61 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.23 0.538 . . . . 0.0 111.098 174.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -105.96 123.59 48.23 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.046 176.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 109' ' ' THR . 49.6 m -94.24 125.44 38.88 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.277 0.56 . . . . 0.0 110.702 175.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.2 m -96.05 112.28 24.06 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 172.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.805 ' HG ' HG13 ' A' ' 64' ' ' VAL . 7.0 t -94.7 156.14 16.54 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.593 0.711 . . . . 0.0 110.616 -175.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.474 ' HB3' ' HB ' ' A' ' 107' ' ' ILE . 60.2 t80 -155.95 134.14 11.44 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.206 -1.361 . . . . 0.0 107.877 175.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.614 ' HB ' HD13 ' A' ' 103' ' ' ILE . 2.5 p -104.17 108.43 19.81 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.158 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -76.48 110.51 11.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.926 -172.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.565 ' NE2' ' HD3' ' A' ' 68' ' ' LYS . 70.6 mt-30 -93.3 126.46 38.43 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.611 176.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -62.91 117.8 36.06 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 173.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.77 -13.75 23.65 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.875 2.383 . . . . 0.0 113.326 -175.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -108.74 8.42 26.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.532 -177.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.503 ' HB2' ' HG2' ' A' ' 102' ' ' GLU . 19.0 m -146.35 -21.34 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -177.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.71 14.58 9.2 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.533 0.733 . . . . 0.0 111.561 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.503 ' HG2' ' HB2' ' A' ' 100' ' ' SER . 11.9 pt-20 -99.01 157.56 16.25 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.761 HD12 ' HG2' ' A' ' 68' ' ' LYS . 89.3 mt -96.0 114.04 31.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.441 0.639 . . . . 0.0 110.274 -177.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.444 ' HG3' ' CD2' ' A' ' 105' ' ' TYR . 3.7 pt-20 -76.55 -39.8 51.7 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.079 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.444 ' CD2' ' HG3' ' A' ' 104' ' ' GLU . 22.4 p90 -166.06 168.16 15.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.985 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.557 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 45.8 mt -98.88 145.63 9.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.778 175.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.474 ' HB ' ' HB3' ' A' ' 93' ' ' PHE . 52.4 mt -100.17 122.99 52.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 9.9 t -110.59 99.18 8.2 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.029 -174.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' A' ' 90' ' ' THR . 25.7 m -103.24 122.41 44.7 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 174.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 11' ' ' GLU . 4.1 m-20 -118.56 116.01 25.75 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.509 -172.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.795 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 23.1 m -94.92 119.49 33.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.925 -178.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -79.22 110.43 14.48 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.458 ' HB ' ' H ' ' A' ' 114' ' ' LYS . 13.8 t -98.88 -92.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.199 0.523 . . . . 0.0 110.095 -178.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.458 ' H ' ' HB ' ' A' ' 113' ' ' VAL . 28.2 mtpp -101.71 179.93 4.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.949 178.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -127.65 134.51 49.63 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 172.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.5 t -81.02 -28.14 35.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.82 -172.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.1 t -178.04 131.6 0.14 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.676 0.274 . . . . 0.0 110.922 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -74.94 -10.9 59.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.963 172.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.514 -0.755 . . . . 0.0 110.714 -176.001 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 112.18 -0.368 . . . . 0.0 112.18 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.2 57.0 6.29 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.154 0.502 . . . . 0.0 111.074 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.432 ' HB2' HD22 ' A' ' 5' ' ' ASN . 92.3 mmm -79.33 161.11 26.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.635 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -86.2 105.4 16.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.344 0.593 . . . . 0.0 110.861 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.597 ' HB3' HG23 ' A' ' 30' ' ' VAL . 14.7 m-80 -140.41 136.6 33.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.105 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.5 p -170.26 132.84 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.539 0.209 . . . . 0.0 110.799 175.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.3 t 54.84 57.04 6.0 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.369 0.604 . . . . 0.0 110.557 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.698 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 14.2 mm100 -95.6 142.17 24.21 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.354 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.63 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 23.7 Cg_exo -64.78 153.04 79.81 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.718 2.279 . . . . 0.0 110.885 172.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.445 ' HB ' ' HB3' ' A' ' 112' ' ' ASN . 12.7 p -87.34 31.43 0.74 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.462 0.649 . . . . 0.0 111.909 -174.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 40.0 tt0 -131.31 132.93 44.88 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 168.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -137.62 142.02 41.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.024 0.44 . . . . 0.0 110.524 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.9 tt -94.68 137.97 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.397 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.2 p -136.84 135.8 38.23 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.624 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.481 ' HG2' HG12 ' A' ' 107' ' ' ILE . 91.1 mtt180 -112.17 133.63 54.19 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.569 ' HB3' ' HA ' ' A' ' 22' ' ' PHE . 1.6 p-80 -148.2 165.77 29.93 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.494 0.664 . . . . 0.0 112.531 -173.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.61 153.15 35.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.643 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.546 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 42.6 pt -50.83 -30.71 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -167.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -69.98 -17.18 63.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.728 0.299 . . . . 0.0 111.029 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.81 12.95 13.3 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.218 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.2 mm -90.85 110.36 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.612 0.206 . . . . 0.0 110.567 -175.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.607 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 97.8 m-85 -68.6 135.08 50.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.96 0.41 . . . . 0.0 111.938 -173.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 p -118.54 -21.24 8.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.162 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -147.12 122.72 10.46 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.643 176.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.499 HG23 ' HB3' ' A' ' 40' ' ' LEU . 94.2 t -130.89 136.81 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.777 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.416 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 13.1 t70 -86.29 148.22 25.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.176 0.513 . . . . 0.0 110.907 177.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -50.89 -22.08 2.03 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.607 -1.179 . . . . 0.0 113.857 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.63 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 74.4 mtt180 -66.01 -5.83 10.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.929 0.395 . . . . 0.0 111.714 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 18.8 p -63.77 -36.54 84.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.478 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.597 HG23 ' HB3' ' A' ' 5' ' ' ASN . 32.8 m -63.0 -31.31 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 120.954 0.407 . . . . 0.0 110.941 -177.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.698 ' HB1' ' HB2' ' A' ' 8' ' ' GLN . . . -79.16 -51.95 8.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.706 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -60.13 -51.51 69.29 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 80' ' ' SER . 22.1 m -130.48 5.67 2.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -168.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.06 -34.39 3.23 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.08 -1.057 . . . . 0.0 113.696 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -72.12 144.68 48.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.957 0.408 . . . . 0.0 111.222 -175.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -89.38 162.77 35.99 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.684 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 82.0 Cg_exo -46.98 -51.8 8.74 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.248 1.965 . . . . 0.0 112.327 -178.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -62.02 -38.96 90.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.591 -178.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.93 -36.45 72.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.754 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.584 ' HG ' ' CD1' ' A' ' 22' ' ' PHE . 10.1 tp -88.77 -20.86 24.2 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.741 -174.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.684 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 64.1 mt -70.33 95.54 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.672 178.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 130.39 -25.95 4.21 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.934 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -107.79 136.15 48.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.915 0.388 . . . . 0.0 110.275 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.527 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 31.5 t-20 -73.33 143.85 46.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.068 -173.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.607 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 15.2 tt -61.76 -26.45 39.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.53 175.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.2 t -75.44 -24.63 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.481 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.527 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 40.9 mm-40 -68.42 -27.67 66.4 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.433 0.635 . . . . 0.0 109.724 175.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -108.38 14.0 25.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.24 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.587 ' SG ' HD12 ' A' ' 57' ' ' LEU . 20.5 t -89.53 132.9 34.84 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.014 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -44.77 123.17 4.79 Favored Pre-proline 0 C--O 1.225 -0.21 0 O-C-N 123.786 0.679 . . . . 0.0 109.212 173.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -49.03 -27.68 12.41 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.834 3.022 . . . . 0.0 114.432 -173.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -90.42 -5.14 56.47 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 122.369 -0.207 . . . . 0.0 111.368 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -109.69 -5.53 15.6 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -174.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -64.28 -36.62 84.68 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.576 -173.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -70.36 -37.75 74.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.288 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tt -62.2 -48.28 80.72 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.587 HD12 ' SG ' ' A' ' 49' ' ' CYS . 13.9 mt -61.92 -41.77 98.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.554 175.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 71.1 ttt180 -57.07 -53.06 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.748 0.309 . . . . 0.0 110.196 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.615 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 5.2 t0 -59.29 -48.32 82.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.589 -179.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.6 m -70.31 -33.52 71.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.237 -172.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.504 ' O ' HG21 ' A' ' 65' ' ' VAL . 12.4 m-30 -67.75 -38.37 83.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.842 ' HA ' HE21 ' A' ' 62' ' ' GLN . 0.0 OUTLIER -65.16 -38.86 91.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.607 175.516 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.615 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 84.2 mm-40 -58.8 -52.04 67.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.661 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.45 HG11 ' HB3' ' A' ' 92' ' ' SER . 13.6 p -65.59 -29.41 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.13 -177.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.569 ' HA ' HG21 ' A' ' 94' ' ' THR . 81.7 t -69.5 -28.39 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.357 0.598 . . . . 0.0 110.03 176.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -82.53 -32.86 28.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.325 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 90.4 mt -70.72 -52.52 20.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.808 178.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.612 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 97.1 mttt 57.48 93.48 0.03 OUTLIER 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.677 0.751 . . . . 0.0 112.188 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.35 -24.11 16.61 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.275 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.444 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 6.3 tp-100 -86.28 129.26 34.91 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -178.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 92' ' ' SER . 51.8 t -77.7 110.87 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.658 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.415 HD12 ' CD1' ' A' ' 67' ' ' LEU . 15.4 tp -101.09 129.68 47.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.546 -173.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.3 m -90.25 121.81 32.61 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.787 0.327 . . . . 0.0 110.395 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.496 HG22 HD23 ' A' ' 57' ' ' LEU . 7.6 p -129.42 131.78 67.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.597 0.713 . . . . 0.0 110.1 174.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.3 ttt -113.72 131.42 56.19 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.168 -174.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.463 ' HE1' ' OG1' ' A' ' 90' ' ' THR . 8.0 p90 -160.07 178.73 9.39 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.922 -175.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.653 ' HB3' ' HB3' ' A' ' 85' ' ' TRP . 45.4 mtt180 -106.37 117.07 33.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.876 0.369 . . . . 0.0 111.014 176.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.521 ' O ' HD13 ' A' ' 86' ' ' LEU . 9.4 t80 -92.36 135.03 34.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.429 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 1.7 ttm180 -77.96 109.24 11.84 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.246 177.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.972 ' HB3' HD11 ' A' ' 86' ' ' LEU . 72.0 p -68.24 178.77 1.78 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.222 0.534 . . . . 0.0 111.347 176.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -75.39 1.84 12.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.127 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -108.49 8.86 27.53 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 68.34 11.74 8.47 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 114.486 -1.234 . . . . 0.0 112.115 177.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -101.11 149.8 23.59 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.653 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 22.4 m95 -103.52 105.4 15.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.215 -170.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.972 HD11 ' HB3' ' A' ' 80' ' ' SER . 0.0 OUTLIER -92.25 160.39 15.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.593 -174.631 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -88.69 118.22 28.22 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.013 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.405 ' HE2' HG12 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -132.05 144.94 51.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.074 174.844 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -104.45 110.32 22.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.653 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.463 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 75.8 m -94.5 131.43 40.23 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.627 -175.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.9 m -91.29 118.03 30.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.628 175.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.467 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 6.1 m -96.28 129.62 43.56 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.73 -177.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 85.3 t80 -139.46 135.76 33.9 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.689 174.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.644 ' HB ' HD13 ' A' ' 103' ' ' ILE . 38.6 p -104.66 109.07 20.85 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.52 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 3.5 t80 -73.38 105.03 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.939 0.399 . . . . 0.0 110.804 -173.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.643 ' HG2' HD12 ' A' ' 103' ' ' ILE . 55.2 mt-30 -91.63 130.37 37.45 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.231 175.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -64.32 117.45 37.14 Favored Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 171.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.418 ' HG2' ' CD2' ' A' ' 99' ' ' TYR . 17.7 Cg_endo -59.68 -13.66 22.83 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 123.062 2.508 . . . . 0.0 113.237 -174.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.418 ' CD2' ' HG2' ' A' ' 98' ' ' PRO . 86.2 m-85 -115.82 9.79 15.16 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.363 -176.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.2 t -145.06 -16.31 0.51 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.27 0.0 1.94 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.5 0.72 . . . . 0.0 112.674 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.562 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 14.0 pt-20 -83.03 156.11 23.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.767 0.318 . . . . 0.0 110.968 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.644 HD13 ' HB ' ' A' ' 94' ' ' THR . 35.0 mm -88.62 113.25 25.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.712 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -66.86 -43.45 83.56 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -177.9 177.7 1.04 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.521 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.556 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 58.6 mt -101.57 143.78 14.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 176.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.481 HG12 ' HG2' ' A' ' 15' ' ' ARG . 62.0 mt -119.78 112.82 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.427 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 87.5 m -114.36 111.78 22.02 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.611 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 90' ' ' THR . 26.0 m -87.65 131.46 34.44 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 173.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.478 ' O ' ' HA ' ' A' ' 11' ' ' GLU . 43.1 m-80 -118.12 112.8 20.66 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.491 -171.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.6 m -105.5 121.32 43.7 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.476 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.445 ' HB3' ' HB ' ' A' ' 10' ' ' THR . 3.8 t-20 -82.12 122.59 28.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 19.0 t -95.08 -97.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.616 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.48 26.36 4.45 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.212 -173.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 53.3 -148.4 0.45 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -173.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.576 ' HA ' ' HA ' ' A' ' 86' ' ' LEU . 27.9 p -78.18 -37.27 46.1 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 118.168 0.44 . . . . 0.0 111.147 -177.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 72.8 m 57.96 33.61 23.38 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.339 0.59 . . . . 0.0 110.624 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -106.65 80.77 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.582 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.016 -0.993 . . . . 0.0 110.496 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.814 0 N-CA-C 112.079 -0.408 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.51 152.62 18.45 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.486 -0.19 . . . . 0.0 110.486 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 86.5 mmm 59.29 35.1 23.23 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.36 0.6 . . . . 0.0 110.53 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -119.03 83.29 2.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.448 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.796 ' HB3' ' HB3' ' A' ' 27' ' ' HIS . 2.8 p30 -171.24 93.81 0.17 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.47 0.652 . . . . 0.0 111.984 -173.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.1 t -124.04 125.43 70.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.14 177.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.0 m 57.77 77.47 0.28 Allowed 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.597 0.561 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.872 ' HA ' HE21 ' A' ' 8' ' ' GLN . 0.0 OUTLIER -116.52 151.95 47.62 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -174.55 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -58.62 155.64 35.92 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.103 2.535 . . . . 0.0 112.331 174.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.11 6.93 23.53 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -174.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -100.13 143.54 30.21 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 172.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -142.16 152.79 43.53 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.288 -0.965 . . . . 0.0 111.496 173.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.5 mm -112.56 128.42 69.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.092 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.5 m -141.86 150.26 41.34 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.038 0.447 . . . . 0.0 111.024 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -112.15 125.82 54.54 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -139.5 145.42 38.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.008 -177.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.627 ' OD1' ' HB ' ' A' ' 21' ' ' ILE . 23.9 p-10 -79.98 171.23 15.38 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -177.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.9 pt -56.89 -30.01 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -162.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.2 -1.15 39.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.16 0.505 . . . . 0.0 110.435 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.01 27.25 14.11 Favored Glycine 0 N--CA 1.439 -1.116 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.737 177.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.627 ' HB ' ' OD1' ' A' ' 17' ' ' ASN . 39.0 mm -95.63 119.36 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 117.228 0.514 . . . . 0.0 110.206 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.602 ' CE1' ' HB ' ' A' ' 45' ' ' ILE . 95.6 m-85 -79.35 123.88 27.9 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.907 0.384 . . . . 0.0 111.267 -176.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.1 p -105.13 -27.04 11.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.918 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -142.28 125.02 15.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.17 176.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 37' ' ' PRO . 95.7 t -128.13 133.93 66.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -76.25 149.49 37.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.527 0.68 . . . . 0.0 110.991 175.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.796 ' HB3' ' HB3' ' A' ' 5' ' ' ASN . 43.2 m80 -54.51 -26.4 31.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.688 -1.142 . . . . 0.0 113.139 -171.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.666 ' HG2' ' HB3' ' A' ' 8' ' ' GLN . 59.5 mtt85 -70.61 -2.24 13.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.254 0.346 . . . . 0.0 111.806 -175.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.4 t -56.99 -35.82 69.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.032 0.444 . . . . 0.0 110.476 174.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.588 HG13 ' HA ' ' A' ' 36' ' ' GLN . 5.1 m -70.72 -27.83 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.38 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.748 ' HB2' ' HB2' ' A' ' 8' ' ' GLN . . . -74.62 -50.1 19.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.815 -178.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.675 HG23 HD22 ' A' ' 110' ' ' ASN . 7.7 m -68.26 -54.03 20.41 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 179.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.534 HG11 ' CD1' ' A' ' 78' ' ' PHE . 30.4 m -129.13 21.24 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -168.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.445 ' HA3' ' CB ' ' A' ' 81' ' ' LYS . . . 72.63 -29.79 0.73 Allowed Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.889 -0.672 . . . . 0.0 114.521 174.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -71.46 138.17 48.81 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.271 0.558 . . . . 0.0 111.243 -175.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.588 ' HA ' HG13 ' A' ' 30' ' ' VAL . 54.0 mm-40 -76.42 152.87 83.78 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.805 173.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.72 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 82.7 Cg_exo -47.83 -48.38 16.22 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 121.827 1.685 . . . . 0.0 110.898 174.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -56.16 -44.37 79.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.018 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 9.8 mm-40 -59.46 -33.13 70.91 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.155 -176.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.508 ' HG ' ' CD1' ' A' ' 22' ' ' PHE . 12.3 tp -89.3 -25.06 21.86 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.061 -174.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.72 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 79.1 mt -62.78 112.17 2.43 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.205 0.526 . . . . 0.0 111.432 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.13 -10.71 37.03 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.667 177.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.409 ' HD3' ' HZ ' ' A' ' 48' ' ' PHE . 64.6 mttp -105.33 159.72 15.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.141 0.496 . . . . 0.0 110.987 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.454 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 15.7 m120 -89.06 130.43 35.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.685 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.602 ' HB ' ' CE1' ' A' ' 22' ' ' PHE . 13.0 tt -60.15 -24.62 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.324 174.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.7 t -70.3 -31.1 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.76 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.454 ' HG2' ' HB2' ' A' ' 44' ' ' ASN . 26.4 mm-40 -71.87 -31.12 66.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.11 0.481 . . . . 0.0 110.317 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.409 ' HZ ' ' HD3' ' A' ' 43' ' ' LYS . 71.1 m-85 -96.82 6.02 49.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.3 176.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 52.5 t -89.38 139.25 30.7 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.629 175.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.546 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 40.0 t-80 -44.55 125.61 4.86 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.849 175.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -50.53 -29.24 24.06 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 124.014 3.143 . . . . 0.0 114.298 -171.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -89.77 -5.25 57.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.96 0.409 . . . . 0.0 111.342 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -116.29 5.57 13.63 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -63.76 -47.62 80.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.52 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -66.93 -32.15 73.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.58 176.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -59.57 -46.53 88.65 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.431 HD21 ' CD1' ' A' ' 76' ' ' PHE . 11.3 mt -63.63 -49.76 72.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.008 175.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.583 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 74.7 ttt180 -52.16 -56.66 13.15 Favored 'General case' 0 CA--C 1.519 -0.234 0 O-C-N 123.41 0.444 . . . . 0.0 110.634 -177.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.744 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 29.6 t70 -55.27 -50.35 69.74 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.981 -179.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 m -68.19 -31.77 71.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.18 -171.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.471 ' O ' HG22 ' A' ' 65' ' ' VAL . 15.9 m-30 -70.89 -36.2 72.64 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.722 -0.474 . . . . 0.0 109.722 174.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 83.1 mm-40 -66.0 -36.74 84.1 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 176.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.744 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 20.2 mm-40 -61.7 -45.04 95.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.334 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 1.044 HG12 ' HG ' ' A' ' 92' ' ' SER . 14.5 p -70.87 -26.38 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.74 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.55 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 58.9 t -71.88 -27.84 28.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.339 0.59 . . . . 0.0 109.711 173.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 66.0 mttm -85.16 -22.98 28.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.255 175.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.705 HD11 HD23 ' A' ' 72' ' ' LEU . 35.8 mt -76.04 -52.48 10.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.621 175.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 96.7 mttt 49.08 80.54 0.06 Allowed 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.969 0.793 . . . . 0.0 111.798 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.58 -35.26 2.44 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.627 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.445 ' HB2' HD12 ' A' ' 67' ' ' LEU . 23.0 mt-30 -93.95 144.3 25.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -177.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.4 t -77.98 127.19 38.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.394 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.705 HD23 HD11 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -117.56 114.8 23.96 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.609 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 90' ' ' THR . 49.1 m -104.47 120.3 40.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.329 0.585 . . . . 0.0 110.715 -175.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.3 p -115.64 137.39 49.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.459 -177.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.4 ttt -111.23 126.47 54.91 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.732 -174.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.431 ' CD1' HD21 ' A' ' 57' ' ' LEU . 15.8 p90 -156.72 179.0 9.69 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.483 -172.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.654 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 64.7 mtp180 -109.7 114.11 27.43 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.174 0.511 . . . . 0.0 110.877 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.534 ' CD1' HG11 ' A' ' 33' ' ' VAL . 2.9 t80 -92.68 136.56 33.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.068 -176.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.515 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 21.9 ttm180 -79.12 119.16 21.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.484 0.659 . . . . 0.0 111.357 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.5 t -73.94 166.83 22.66 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.193 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.445 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . 48.3 tptt -69.39 -9.45 53.57 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.825 175.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -97.91 7.0 47.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 62.97 32.63 15.46 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.944 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.515 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 43.2 mt-10 -90.68 161.29 15.44 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.62 172.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.51 ' O ' ' HB3' ' A' ' 116' ' ' SER . 88.0 m95 -124.87 80.56 1.88 Allowed 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.654 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.1 pp -85.26 161.97 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.507 0.67 . . . . 0.0 112.213 -171.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.45 ' CZ2' ' HD2' ' A' ' 77' ' ' ARG . 89.2 m95 -94.2 117.58 30.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.01 -176.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 14.8 ptp -132.49 147.21 52.36 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.579 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -108.59 112.96 25.59 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 173.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.512 ' HA ' ' O ' ' A' ' 109' ' ' THR . 88.6 m -94.09 124.33 38.03 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.68 -178.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.6 m -91.39 120.3 32.13 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 176.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 1.044 ' HG ' HG12 ' A' ' 64' ' ' VAL . 7.9 t -96.33 157.11 16.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.563 0.696 . . . . 0.0 110.973 -173.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -158.54 134.83 9.27 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.306 -1.316 . . . . 0.0 108.256 175.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.493 HG22 HG12 ' A' ' 106' ' ' ILE . 73.9 p -107.45 108.24 19.49 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.115 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.43 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 2.4 t80 -72.33 118.82 15.7 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.464 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 51.0 mt-30 -98.04 138.32 35.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.688 -174.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -55.5 115.9 10.49 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.495 168.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.55 -9.91 10.12 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.902 2.401 . . . . 0.0 113.697 -171.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -120.85 -6.51 9.59 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.475 -178.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.5 m -130.59 -11.58 3.94 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -173.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 61.05 7.09 1.42 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.002 0.521 . . . . 0.0 112.376 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.464 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 9.6 mm-40 -77.25 155.24 32.27 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.435 HD11 ' HB ' ' A' ' 94' ' ' THR . 76.7 mt -96.82 119.2 44.57 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-O 121.401 0.62 . . . . 0.0 110.637 -176.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -73.11 -46.04 53.57 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.852 177.799 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -168.15 157.06 9.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.453 -1.249 . . . . 0.0 109.588 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.493 HG12 HG22 ' A' ' 94' ' ' THR . 66.8 mt -92.57 142.97 12.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 174.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 61.7 mt -111.55 106.42 20.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.9 p -98.0 112.57 24.46 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.183 0.516 . . . . 0.0 111.312 -173.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.512 ' O ' ' HA ' ' A' ' 90' ' ' THR . 47.1 m -86.31 127.65 34.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.449 174.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.675 HD22 HG23 ' A' ' 32' ' ' THR . 5.6 t30 -103.14 117.55 34.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.818 -0.174 . . . . 0.0 110.978 -177.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.3 m -115.66 104.54 11.79 Favored 'General case' 0 N--CA 1.444 -0.747 0 O-C-N 124.244 0.965 . . . . 0.0 108.962 171.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -82.68 122.65 28.42 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.843 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.409 ' HB ' ' H ' ' A' ' 114' ' ' LYS . 9.6 t -92.92 -91.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.05 -178.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.409 ' H ' ' HB ' ' A' ' 113' ' ' VAL . 0.0 OUTLIER -122.19 172.04 8.56 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.554 177.566 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -111.76 141.95 44.72 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.031 0.443 . . . . 0.0 110.98 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.51 ' HB3' ' O ' ' A' ' 85' ' ' TRP . 42.8 t -90.66 115.48 27.79 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.082 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.7 t -81.6 56.51 3.01 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.583 ' HA ' HE21 ' A' ' 118' ' ' GLN . 0.1 OUTLIER 55.52 48.7 18.23 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.457 -175.452 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 . . . . . 0 C--O 1.247 0.969 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.408 -176.879 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.56 -175.85 5.09 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.1 mmt -100.2 135.4 41.69 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -63.19 114.23 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.519 0.676 . . . . 0.0 111.312 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -165.11 142.57 6.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.938 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.5 p -175.99 144.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.721 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.3 m 57.54 58.64 3.66 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.298 0.57 . . . . 0.0 111.614 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -118.54 161.83 33.59 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.223 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -48.12 153.29 2.91 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.416 2.744 . . . . 0.0 113.449 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.12 22.24 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.583 0.706 . . . . 0.0 110.618 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -133.87 133.71 41.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.354 176.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -133.8 141.22 47.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.226 0.536 . . . . 0.0 111.193 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.1 mt -100.11 132.69 45.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.493 175.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.9 p -136.56 149.25 47.99 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.229 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -109.63 134.84 51.48 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.618 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 1.4 p-80 -142.44 158.57 43.55 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.855 -178.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -74.49 151.89 39.47 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.415 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 20.7 pt -49.93 -26.62 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -166.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -74.24 -10.02 59.19 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.79 7.56 33.55 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.578 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.423 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 30.3 mm -85.25 118.55 32.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 110.577 -0.157 . . . . 0.0 110.577 -173.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -67.26 123.85 21.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 111.421 -176.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 p -107.51 -32.3 7.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.805 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -150.53 132.99 15.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.619 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.6 t -129.55 138.48 54.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.657 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -78.6 149.01 33.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.287 175.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -56.66 -20.64 22.48 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.801 -173.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -62.76 -7.16 4.46 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.901 0.381 . . . . 0.0 111.683 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.9 t -58.68 -37.11 75.34 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 176.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.8 m -66.7 -35.51 74.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.943 -176.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.05 -50.93 14.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.45 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 m -54.53 -48.92 71.4 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.68 ' HB ' ' HA ' ' A' ' 80' ' ' SER . 13.2 m -132.28 -28.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -173.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.55 -20.93 11.9 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 119.521 -1.323 . . . . 0.0 112.826 -177.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.461 ' H ' HG23 ' A' ' 33' ' ' VAL . 16.1 m-85 -71.31 138.91 49.69 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.745 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 65.1 mm-40 -78.41 148.25 73.51 Favored Pre-proline 0 C--N 1.308 -1.211 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 171.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.49 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 88.0 Cg_exo -46.42 -44.85 20.07 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.167 1.911 . . . . 0.0 111.269 177.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -59.11 -38.49 79.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.484 -1.234 . . . . 0.0 111.527 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.745 ' HG3' ' HB2' ' A' ' 36' ' ' GLN . 41.8 mt-10 -67.52 -26.94 66.58 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.916 0.389 . . . . 0.0 110.936 -173.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.6 mt -79.71 -32.5 41.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.818 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 30.9 mt -64.93 108.39 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.513 -177.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.12 -22.92 7.43 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.668 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -108.94 177.9 4.63 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.699 0.761 . . . . 0.0 111.552 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.483 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 30.6 t-20 -110.69 145.95 37.1 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.537 -1.21 . . . . 0.0 109.549 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.7 tt -61.7 -24.4 33.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.289 176.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.6 t -71.73 -25.9 25.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.472 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.483 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 68.9 mm-40 -62.91 -35.25 79.45 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.32 0.581 . . . . 0.0 110.257 177.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -105.82 11.57 31.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.347 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.553 ' SG ' HD13 ' A' ' 57' ' ' LEU . 41.7 t -87.27 132.36 33.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.818 176.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.498 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 30.3 t-80 -45.35 125.78 5.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.741 174.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 50' ' ' HIS . 80.8 Cg_exo -49.78 -29.97 21.68 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.917 3.078 . . . . 0.0 114.316 -171.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -90.08 -5.44 56.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.026 0.441 . . . . 0.0 111.248 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -107.53 -5.75 17.39 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -175.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -61.17 -42.68 99.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.379 -175.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -36.07 79.78 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.8 tp -59.99 -51.67 68.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.173 178.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.553 HD13 ' SG ' ' A' ' 49' ' ' CYS . 13.1 mt -62.32 -44.38 96.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.936 175.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.58 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 70.8 ttt180 -56.57 -49.68 74.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.81 0.338 . . . . 0.0 110.38 -178.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.677 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 21.8 t70 -67.85 -38.98 83.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.742 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.4 p -65.89 -40.12 91.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.699 0.762 . . . . 0.0 110.307 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.598 ' O ' HG21 ' A' ' 65' ' ' VAL . 12.5 m-85 -64.72 -36.67 85.03 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.802 175.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 16.0 mm100 -65.35 -35.16 80.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.481 176.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.677 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 32.5 mm-40 -62.06 -51.51 67.69 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.455 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.97 -21.14 27.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.56 -176.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.598 HG21 ' O ' ' A' ' 61' ' ' PHE . 71.7 t -69.97 -42.7 79.67 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 CA-C-O 121.219 0.533 . . . . 0.0 109.868 176.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 63' ' ' GLN . 13.5 ptmm? -85.67 -18.51 32.97 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.569 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.564 HD13 HD22 ' A' ' 72' ' ' LEU . 47.7 mt -94.81 29.75 2.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.229 175.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.582 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 82.5 mttt -29.58 109.72 0.05 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.1 -19.14 35.43 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.665 175.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -95.35 139.55 31.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.8 0.333 . . . . 0.0 110.803 -177.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.2 t -78.37 117.34 23.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.168 177.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.564 HD22 HD13 ' A' ' 67' ' ' LEU . 1.2 tm? -101.47 115.55 30.77 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -176.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.4 p -93.06 121.03 33.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.699 0.285 . . . . 0.0 110.731 -177.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.1 p -130.57 135.74 59.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.801 0.81 . . . . 0.0 110.319 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 21.3 ttt -114.31 124.3 51.64 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.115 -174.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.451 ' HE1' ' OG1' ' A' ' 90' ' ' THR . 19.7 p90 -148.5 178.38 8.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -176.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.498 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 91.8 mtt180 -103.35 118.58 37.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.88 0.372 . . . . 0.0 110.8 176.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.616 ' CD1' HG13 ' A' ' 33' ' ' VAL . 8.6 t80 -91.75 137.12 32.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.512 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.42 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 6.2 ttm180 -81.34 108.51 15.02 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.233 176.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.694 ' HB3' HD11 ' A' ' 86' ' ' LEU . 90.1 p -63.79 -178.53 0.31 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.699 0.761 . . . . 0.0 112.117 174.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.416 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 21.8 tptm -76.87 -7.43 55.48 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.424 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -96.88 1.68 50.83 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.957 -1.02 . . . . 0.0 108.654 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 66.23 27.88 10.16 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.601 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.408 ' HG2' ' OG ' ' A' ' 80' ' ' SER . 1.2 pt-20 -107.54 152.52 24.13 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 176.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.477 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 52.4 m95 -111.01 101.11 9.69 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.022 0.439 . . . . 0.0 110.753 -171.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.694 HD11 ' HB3' ' A' ' 80' ' ' SER . 0.0 OUTLIER -100.17 159.18 15.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.948 -177.531 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.613 ' HD1' ' O ' ' A' ' 114' ' ' LYS . 95.3 m95 -71.52 124.34 24.44 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.415 178.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.622 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 2.8 tpp -133.58 124.56 27.1 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.729 174.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -97.87 111.66 23.87 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.451 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 98.3 m -94.37 127.52 40.31 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.196 0.522 . . . . 0.0 110.851 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.8 m -94.96 115.51 27.54 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.127 174.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.426 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 10.4 m -94.05 125.59 38.77 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.55 -174.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.538 ' HE2' ' HD1' ' A' ' 95' ' ' PHE . 60.0 t80 -124.54 135.02 52.83 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 171.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.469 ' HB ' HD13 ' A' ' 103' ' ' ILE . 1.1 p -99.58 110.0 22.47 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.117 0.484 . . . . 0.0 110.478 175.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.538 ' HD1' ' HE2' ' A' ' 93' ' ' PHE . 24.4 t80 -79.53 107.92 12.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.624 -174.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.459 ' HG2' HG12 ' A' ' 103' ' ' ILE . 53.0 mt-30 -99.56 143.99 29.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.736 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.628 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 8.2 t-20 -82.24 122.65 79.48 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 174.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.416 ' HG2' ' CD1' ' A' ' 99' ' ' TYR . 20.1 Cg_endo -61.59 -20.63 69.5 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 122.625 2.216 . . . . 0.0 112.869 -174.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.416 ' CD1' ' HG2' ' A' ' 98' ' ' PRO . 80.9 m-85 -104.62 -11.81 16.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.439 -177.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.628 ' HB2' ' HB3' ' A' ' 97' ' ' ASN . 17.7 m -112.5 -25.44 9.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.595 0.236 . . . . 0.0 111.311 -176.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.8 t70 73.24 -19.3 0.33 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.73 0.812 . . . . 0.0 111.517 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.471 ' HG2' ' CB ' ' A' ' 100' ' ' SER . 12.4 pt-20 -76.24 170.15 16.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.376 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.545 HD12 ' HG2' ' A' ' 68' ' ' LYS . 71.2 mt -103.73 125.39 58.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.256 0.55 . . . . 0.0 110.336 -179.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.4 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 1.6 mm-40 -67.42 -49.2 64.78 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.048 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.461 ' HB2' ' O ' ' A' ' 16' ' ' HIS . 2.8 p90 -179.03 -174.59 0.35 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.438 -1.255 . . . . 0.0 109.519 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.618 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 64.8 mt -101.08 139.91 21.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 57.8 mt -113.32 111.99 38.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 6.1 p -112.23 119.53 38.67 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.279 0.561 . . . . 0.0 112.161 -173.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.9 m -88.37 130.03 35.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 170.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.622 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 35.0 m-80 -119.05 113.86 21.6 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.254 -171.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.2 m -112.59 114.11 26.58 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.805 -176.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -82.2 120.71 25.7 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.424 -178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.437 HG11 ' H ' ' A' ' 114' ' ' LYS . 2.1 t -92.57 -140.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.651 -173.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.613 ' O ' ' HD1' ' A' ' 87' ' ' TRP . 0.0 OUTLIER -129.33 -154.54 0.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 119.186 -0.435 . . . . 0.0 110.284 -170.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.463 ' HB3' ' CD1' ' A' ' 87' ' ' TRP . 23.0 t-20 74.83 -48.64 0.65 Allowed 'General case' 0 N--CA 1.474 0.748 0 O-C-N 123.693 0.621 . . . . 0.0 111.05 178.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.453 ' CB ' ' HA ' ' A' ' 86' ' ' LEU . 5.5 p -83.42 12.33 5.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.081 177.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.5 m -73.3 113.57 10.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.671 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -85.75 -42.56 14.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.902 -176.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.956 -178.467 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.517 ' O ' ' HA ' ' A' ' 5' ' ' ASN . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.736 -0.545 . . . . 0.0 111.736 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.31 171.93 7.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.747 0.273 . . . . 0.0 110.647 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.0 mmt 69.47 -66.05 0.28 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.812 0.695 . . . . 0.0 111.981 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -104.45 -18.82 14.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.457 0.17 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.517 ' HA ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 69.3 -75.59 0.07 Allowed 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.746 0.653 . . . . 0.0 110.441 -177.742 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 p -179.02 -172.35 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 p -61.65 91.54 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.484 0.584 . . . . 0.0 111.275 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -111.14 139.09 21.5 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.947 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.66 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 34.5 Cg_exo -61.22 157.13 41.5 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 123.33 2.687 . . . . 0.0 111.841 171.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 m -88.98 16.12 7.52 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.226 0.536 . . . . 0.0 111.749 -170.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.56 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 18.2 mt-10 -128.49 134.45 48.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 177.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.472 ' CD1' ' HA ' ' A' ' 29' ' ' CYS . 37.8 p90 -133.3 139.37 46.84 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.99 178.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.2 tt -96.67 142.85 13.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.7 t -138.0 143.78 40.78 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.297 0.57 . . . . 0.0 111.025 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -112.53 115.79 29.2 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 172.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.602 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 1.4 p-80 -128.96 162.53 27.37 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.734 0.778 . . . . 0.0 112.214 -172.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.02 146.16 47.84 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.257 -1.338 . . . . 0.0 108.485 177.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.7 pt -50.31 -23.68 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -170.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -79.84 -8.94 59.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.685 0.278 . . . . 0.0 111.222 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.65 11.02 31.78 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 121.003 -0.618 . . . . 0.0 111.973 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 43.5 mm -86.95 123.71 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -174.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -68.61 127.62 33.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.173 0.511 . . . . 0.0 111.26 -177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.2 m -118.11 -40.95 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.995 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -133.27 121.83 23.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.328 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.2 t -131.77 138.71 52.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.743 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -85.73 148.26 25.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.273 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.431 ' CD2' ' HG2' ' A' ' 37' ' ' PRO . 27.9 m170 -56.22 -17.4 7.36 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.66 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 49.0 mtm180 -62.2 -12.42 20.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.496 0.188 . . . . 0.0 111.424 176.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.472 ' HA ' ' CD1' ' A' ' 12' ' ' PHE . 43.8 t -53.01 -34.66 57.33 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.147 0.499 . . . . 0.0 111.615 174.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.418 HG21 ' NE2' ' A' ' 36' ' ' GLN . 48.0 t -65.35 -43.35 94.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.278 -177.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.53 -46.18 64.11 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.462 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.5 HG22 HG13 ' A' ' 33' ' ' VAL . 5.4 m -60.67 -58.02 10.22 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 177.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.5 HG13 HG22 ' A' ' 32' ' ' THR . 33.8 m -134.32 20.03 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -167.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.44 -23.55 1.91 Allowed Glycine 0 CA--C 1.521 0.408 0 N-CA-C 114.679 0.632 . . . . 0.0 114.679 172.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.423 ' CD2' HD21 ' A' ' 40' ' ' LEU . 22.8 m-85 -78.1 150.77 33.64 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 117.347 0.574 . . . . 0.0 110.831 -174.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.425 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 9.8 mm-40 -91.07 144.45 29.99 Favored Pre-proline 0 C--N 1.312 -1.062 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 173.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HB2' ' OE1' ' A' ' 38' ' ' GLN . 89.2 Cg_exo -46.19 -45.87 17.52 Favored 'Trans proline' 0 CA--C 1.519 -0.241 0 C-N-CA 122.319 2.012 . . . . 0.0 112.483 -176.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.515 ' OE1' ' HB2' ' A' ' 37' ' ' PRO . 4.3 mm100 -63.26 -34.45 77.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.108 -176.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.425 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 11.2 mm-40 -67.59 -28.06 67.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.711 -176.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.423 HD21 ' CD2' ' A' ' 35' ' ' TYR . 33.6 mt -80.85 -27.01 36.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.383 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.4 mt -63.88 106.46 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.089 0.471 . . . . 0.0 110.222 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.68 -18.64 9.2 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.656 -176.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.674 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 9.9 mmpt? -105.58 156.84 17.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.026 0.441 . . . . 0.0 110.751 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -94.96 148.3 22.46 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.4 tt -62.29 -23.75 32.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.099 0.476 . . . . 0.0 109.923 174.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.484 HG13 ' HG3' ' A' ' 54' ' ' GLN . 97.7 t -71.48 -28.33 31.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.542 176.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.95 -36.29 76.77 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.499 0.666 . . . . 0.0 110.48 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -109.31 18.92 19.96 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.285 -177.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.2 t -92.84 135.48 34.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.231 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.839 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 37.7 t-80 -45.15 122.39 5.03 Favored Pre-proline 0 C--O 1.221 -0.424 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.026 174.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -49.43 -26.85 12.74 Favored 'Trans proline' 0 N--CA 1.478 0.618 0 C-N-CA 124.021 3.147 . . . . 0.0 114.548 -169.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.7 -4.59 58.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.692 0.282 . . . . 0.0 111.476 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -108.96 0.83 20.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.108 -172.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.484 ' HG3' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -53.13 -49.64 66.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.099 -179.176 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.447 HE21 ' CA ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -73.7 -29.95 62.58 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.163 178.565 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.5 tp -58.72 -49.06 79.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.943 0.401 . . . . 0.0 110.3 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.499 HD21 ' CD1' ' A' ' 76' ' ' PHE . 13.1 mt -66.68 -49.43 66.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.609 175.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.562 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 46.2 ttt180 -54.62 -50.93 66.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -176.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.587 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 16.9 t70 -62.32 -43.38 98.95 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -177.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 55.5 m -71.38 -32.07 68.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.888 -175.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.535 ' O ' HG21 ' A' ' 65' ' ' VAL . 15.7 m-30 -69.85 -32.76 71.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 14.1 mm100 -72.92 -29.22 62.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.992 176.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 81.1 mm-40 -61.34 -47.85 84.03 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.476 177.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.469 HG11 ' HB3' ' A' ' 92' ' ' SER . 7.4 p -71.08 -24.09 24.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.098 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.535 HG21 ' O ' ' A' ' 61' ' ' PHE . 85.8 t -71.88 -25.57 24.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 121.307 0.575 . . . . 0.0 109.679 173.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -82.75 -39.8 21.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.382 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.604 HD11 HD23 ' A' ' 72' ' ' LEU . 63.6 mt -67.57 -53.46 28.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.417 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.705 ' HG2' HD11 ' A' ' 103' ' ' ILE . 99.4 mttt 58.66 92.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.923 0.764 . . . . 0.0 112.001 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.25 -18.26 36.27 Favored Glycine 0 C--N 1.317 -0.509 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.622 176.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.494 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 11.0 mm100 -96.95 142.49 28.86 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.0 p -77.11 127.13 38.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.459 0.647 . . . . 0.0 110.928 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.604 HD23 HD11 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -120.76 113.57 20.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.037 178.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.5 t -101.79 120.5 40.47 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.068 0.461 . . . . 0.0 110.614 -173.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.4 p -121.72 137.23 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 CA-C-O 121.915 0.864 . . . . 0.0 110.579 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 22.3 ttt -113.92 128.55 56.44 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.506 -172.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.499 ' CD1' HD21 ' A' ' 57' ' ' LEU . 20.0 p90 -152.07 179.06 8.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.936 -175.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.839 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 60.2 mtt180 -99.58 116.78 32.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -94.08 129.98 40.42 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.415 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 3.4 ttm180 -77.23 100.2 5.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.945 0.402 . . . . 0.0 110.484 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.463 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 41.7 t -69.8 175.69 4.13 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.931 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -67.01 -15.13 63.53 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -170.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.459 ' HB2' ' OE1' ' A' ' 84' ' ' GLU . 11.8 m-80 -102.23 15.07 30.22 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 69.21 23.31 6.4 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.146 175.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.463 ' OE2' ' HB3' ' A' ' 80' ' ' SER . 0.9 OUTLIER -91.11 155.76 18.4 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.015 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.434 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 79.1 m95 -115.01 84.48 2.09 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.168 0.509 . . . . 0.0 109.66 -176.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.3 pp -87.81 162.02 17.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.969 -174.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.846 ' HB2' ' HB2' ' A' ' 114' ' ' LYS . 97.3 m95 -82.88 111.07 18.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.442 0.639 . . . . 0.0 111.103 -177.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.408 ' HB2' ' HE3' ' A' ' 88' ' ' MET . 0.0 OUTLIER -122.26 133.3 54.7 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.554 -179.368 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -113.47 120.95 42.77 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.437 ' CG2' ' HB2' ' A' ' 108' ' ' CYS . 66.2 m -104.75 129.32 53.0 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.791 -177.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.488 ' OG ' ' HB ' ' A' ' 109' ' ' THR . 8.3 p -94.43 126.67 39.85 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.469 ' HB3' HG11 ' A' ' 64' ' ' VAL . 5.0 m -100.59 127.39 46.99 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.784 -173.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -127.54 134.18 49.77 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 170.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.583 ' HB ' HD12 ' A' ' 103' ' ' ILE . 2.2 p -105.56 114.33 28.43 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 120.819 0.342 . . . . 0.0 110.122 176.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -83.94 109.71 17.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.844 -174.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.504 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 56.1 mt-30 -83.89 124.01 30.54 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.541 174.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.407 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 19.0 t-20 -65.16 126.4 91.24 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.511 -177.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.47 -23.96 26.62 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.792 2.995 . . . . 0.0 114.394 -172.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -124.24 28.41 6.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.407 ' HB3' ' HB3' ' A' ' 97' ' ' ASN . 27.5 t -145.96 -24.47 0.45 Allowed 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.136 175.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 69.75 -7.4 0.9 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.482 0.713 . . . . 0.0 112.464 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 10.8 pt-20 -82.46 173.22 12.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.705 HD11 ' HG2' ' A' ' 68' ' ' LYS . 91.4 mt -102.63 116.46 46.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.303 0.573 . . . . 0.0 110.047 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -75.66 -41.36 54.19 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -169.8 178.23 4.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.397 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.602 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 57.3 mt -104.26 139.11 26.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.798 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 64.5 mt -115.78 106.82 21.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.437 ' HB2' ' CG2' ' A' ' 90' ' ' THR . 28.0 p -115.1 137.86 51.54 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.978 0.418 . . . . 0.0 111.474 -173.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.488 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 23.2 m -96.45 125.35 40.88 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 170.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.406 ' HB3' ' HE1' ' A' ' 88' ' ' MET . 17.4 m120 -106.12 111.23 23.76 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -174.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.5 m -117.47 126.73 53.11 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.288 -173.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.425 ' HB2' HG21 ' A' ' 32' ' ' THR . 9.3 t-20 -84.43 114.63 22.05 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.616 177.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.427 HG13 ' HG3' ' A' ' 114' ' ' LYS . 25.4 t -93.52 -51.86 10.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.324 0.583 . . . . 0.0 111.327 -174.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.846 ' HB2' ' HB2' ' A' ' 87' ' ' TRP . 29.4 mtpp -137.88 -177.54 4.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.564 -173.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.425 ' O ' ' HB3' ' A' ' 116' ' ' SER . 10.7 t-20 -124.03 -30.72 3.46 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.588 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.555 ' HB2' ' CD1' ' A' ' 87' ' ' TRP . 47.1 t 73.29 -71.56 0.13 Allowed 'General case' 0 C--O 1.237 0.396 0 O-C-N 123.772 0.67 . . . . 0.0 110.8 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.41 ' O ' ' HB3' ' A' ' 118' ' ' GLN . 35.1 m -157.16 152.26 26.06 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -178.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.41 ' HB3' ' O ' ' A' ' 117' ' ' SER . 47.6 tt0 77.76 91.09 0.06 Allowed 'General case' 0 N--CA 1.464 0.258 0 O-C-N 124.218 0.949 . . . . 0.0 111.85 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 . . . . . 0 C--O 1.25 1.101 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.552 169.491 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.541 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.47 114.25 17.21 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.9 mtt 64.53 -156.98 0.3 Allowed 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.34 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 66.74 27.32 9.31 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.004 0.521 . . . . 0.0 111.901 177.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -151.47 130.01 12.21 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.8 p -177.29 166.81 0.1 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 109.389 -0.596 . . . . 0.0 109.389 -176.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.4 m 62.86 56.93 1.79 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.719 0.771 . . . . 0.0 110.713 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.607 ' HB3' ' HG2' ' A' ' 28' ' ' ARG . 82.7 mm-40 -119.57 167.05 13.01 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.865 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -50.55 153.38 7.8 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.76 2.307 . . . . 0.0 112.401 170.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.474 ' HB ' ' HB3' ' A' ' 112' ' ' ASN . 39.3 p -89.13 32.86 0.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.217 0.532 . . . . 0.0 111.657 -177.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 110' ' ' ASN . 25.1 tt0 -126.65 133.66 50.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 172.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -146.25 155.46 42.69 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.184 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.454 HG12 HG23 ' A' ' 109' ' ' THR . 57.5 mt -111.3 134.69 52.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.752 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.7 p -136.66 141.33 43.17 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.126 0.489 . . . . 0.0 111.165 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -109.54 126.75 53.89 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.426 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -145.68 150.45 36.32 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.007 -175.384 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -76.25 166.96 22.7 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.4 pt -56.63 -16.6 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 124.633 1.208 . . . . 0.0 114.014 -168.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -83.44 -15.6 49.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.051 0.453 . . . . 0.0 110.327 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.41 10.89 26.54 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.229 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.0 mm -89.49 123.06 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 116.884 0.342 . . . . 0.0 110.922 -171.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.426 ' CE1' ' HB ' ' A' ' 45' ' ' ILE . 88.2 m-85 -72.76 132.55 43.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 111.777 -176.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.1 p -119.76 -20.22 7.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.436 174.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -153.86 133.66 13.05 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.539 174.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.84 138.5 22.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.094 0.473 . . . . 0.0 111.021 177.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -70.3 148.68 48.22 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.334 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.403 ' HA ' ' CG ' ' A' ' 37' ' ' PRO . 70.8 m80 -62.8 -19.51 64.12 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.691 -172.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.607 ' HG2' ' HB3' ' A' ' 8' ' ' GLN . 80.6 mtt85 -67.14 -6.43 17.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.578 0.228 . . . . 0.0 111.387 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.4 t -55.31 -41.21 72.08 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.067 0.46 . . . . 0.0 111.203 178.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.667 HG23 ' HA ' ' A' ' 36' ' ' GLN . 16.4 t -64.67 -37.37 79.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.196 0.522 . . . . 0.0 109.785 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.71 -50.83 39.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.045 -177.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.521 HG21 ' HB2' ' A' ' 112' ' ' ASN . 30.4 m -59.24 -52.92 63.6 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.572 HG13 ' CD1' ' A' ' 78' ' ' PHE . 35.9 m -125.63 -27.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -169.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.55 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 120.75 -20.71 8.65 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 118.973 -1.584 . . . . 0.0 113.452 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.476 ' H ' HG22 ' A' ' 33' ' ' VAL . 22.5 m-85 -81.19 136.45 35.86 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 120.802 0.334 . . . . 0.0 110.699 -178.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.719 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 44.7 mm-40 -76.48 149.21 81.13 Favored Pre-proline 0 C--N 1.311 -1.1 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 173.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.504 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 85.4 Cg_exo -48.26 -42.91 33.02 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.07 1.847 . . . . 0.0 110.949 175.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -55.78 -42.23 75.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.719 ' HG3' ' HB2' ' A' ' 36' ' ' GLN . 40.0 mt-10 -69.99 -23.96 63.23 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.329 -171.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 66.2 mt -86.13 -26.02 25.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.501 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 64.3 mt -62.92 106.78 0.87 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.261 0.553 . . . . 0.0 111.178 -176.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.2 -11.34 33.87 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.984 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.726 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 10.3 mmpt? -105.58 160.87 14.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.836 0.351 . . . . 0.0 110.409 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.502 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 20.9 t-20 -96.52 138.95 33.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.317 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.426 ' HB ' ' CE1' ' A' ' 22' ' ' PHE . 14.5 tt -62.32 -24.69 35.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.262 174.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.4 t -71.13 -25.74 26.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.475 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.502 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 19.2 mm-40 -67.88 -39.13 83.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.311 0.577 . . . . 0.0 110.643 177.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -100.15 19.66 16.01 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.218 -178.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.2 t -96.24 142.47 28.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.452 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.656 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 35.1 t-80 -47.38 127.62 9.96 Favored Pre-proline 0 C--N 1.332 -0.166 0 O-C-N 123.783 0.677 . . . . 0.0 109.809 172.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.463 ' HD2' ' CD2' ' A' ' 50' ' ' HIS . 7.3 Cg_endo -48.56 -44.52 30.23 Favored 'Trans proline' 0 N--CA 1.473 0.315 0 C-N-CA 123.559 2.84 . . . . 0.0 113.572 -169.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -77.08 -5.11 47.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.423 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.418 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 2.7 m-20 -110.74 -5.04 15.06 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -175.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -65.09 -36.48 84.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.127 -173.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -75.4 -29.93 59.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.949 0.404 . . . . 0.0 110.253 174.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD21 HG22 ' A' ' 74' ' ' VAL . 3.0 tt -63.28 -40.38 97.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.385 177.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.424 HD21 ' HA ' ' A' ' 57' ' ' LEU . 15.1 mt -67.32 -45.36 76.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.99 175.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.484 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 59.3 mtt180 -58.68 -47.02 85.94 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.704 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.755 ' HA ' HE21 ' A' ' 62' ' ' GLN . 38.9 t70 -63.93 -43.79 94.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.443 -177.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.5 p -71.19 -47.53 56.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.377 0.608 . . . . 0.0 111.27 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.622 ' O ' HG12 ' A' ' 64' ' ' VAL . 9.1 m-85 -64.78 -36.55 84.69 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.904 -177.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.755 HE21 ' HA ' ' A' ' 59' ' ' ASP . 27.8 pt20 -73.75 -25.99 60.44 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.069 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.451 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 66.2 mt-30 -76.65 -28.67 56.11 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.651 177.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 61' ' ' PHE . 8.7 p -71.63 -26.68 26.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 119.396 -0.922 . . . . 0.0 109.289 173.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.795 ' HA ' HG23 ' A' ' 94' ' ' THR . 59.5 t -72.12 -28.63 29.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 121.243 0.544 . . . . 0.0 109.587 172.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 55.4 mtpt -78.8 -38.27 38.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.651 175.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.531 HD11 HD22 ' A' ' 72' ' ' LEU . 69.5 mt -67.84 -52.06 41.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.084 178.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.736 ' HG2' HD11 ' A' ' 103' ' ' ILE . 89.3 mttt 62.36 99.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.814 0.696 . . . . 0.0 112.124 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.97 -11.44 65.96 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.773 176.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.512 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 51.0 tp60 -98.06 138.62 35.1 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.548 ' HA ' ' O ' ' A' ' 92' ' ' SER . 96.8 t -76.8 118.76 23.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.216 0.531 . . . . 0.0 111.086 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.531 HD22 HD11 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -99.67 114.13 27.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.421 -0.808 . . . . 0.0 108.92 -179.719 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.9 p -96.45 120.91 37.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.173 0.511 . . . . 0.0 110.508 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.42 HG22 HD21 ' A' ' 56' ' ' LEU . 14.7 p -138.74 138.06 42.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.89 0.853 . . . . 0.0 110.695 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 15.2 ttt -113.17 137.31 51.65 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.147 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.468 ' HE1' ' HG1' ' A' ' 90' ' ' THR . 15.1 p90 -161.7 178.6 8.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.995 -176.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.656 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 13.6 mtp180 -107.47 116.29 31.68 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.172 0.511 . . . . 0.0 110.46 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CD1' HG13 ' A' ' 33' ' ' VAL . 14.0 t80 -89.46 145.5 25.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.055 -178.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.639 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 47.6 ttp180 -84.03 110.22 18.28 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.67 0.748 . . . . 0.0 111.553 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.582 ' HB3' ' HB2' ' A' ' 84' ' ' GLU . 18.8 t -54.87 159.85 2.16 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.051 170.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.55 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 22.4 tptm -66.26 -9.88 36.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.716 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -102.99 13.26 34.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 64.71 45.61 3.38 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.107 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.639 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 26.1 mt-10 -108.94 160.97 15.58 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.349 177.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.404 ' CZ3' ' HB2' ' A' ' 79' ' ' ARG . 60.4 m95 -113.09 95.06 5.19 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 120.843 0.354 . . . . 0.0 110.109 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.542 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.3 pp -98.19 159.71 14.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.134 0.492 . . . . 0.0 111.803 -177.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -90.32 127.02 36.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.799 -174.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.8 ptp -143.34 152.02 41.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.444 171.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -115.97 117.51 30.35 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 174.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.468 ' HG1' ' HE1' ' A' ' 76' ' ' PHE . 89.2 m -100.86 135.28 42.56 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.181 -174.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.585 ' OG ' ' HB ' ' A' ' 109' ' ' THR . 33.4 p -104.03 121.17 42.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.548 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 3.8 m -100.68 137.29 39.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.334 -173.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -130.31 143.27 50.67 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 171.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.795 HG23 ' HA ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -111.24 119.03 37.56 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 120.834 0.35 . . . . 0.0 110.563 177.19 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -77.52 100.07 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.729 -174.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -83.29 126.96 33.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.659 174.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -69.87 121.71 83.62 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 169.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.25 9.4 0.4 Allowed 'Trans proline' 0 N--CA 1.475 0.405 0 C-N-CA 122.787 2.324 . . . . 0.0 114.19 -171.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -127.48 -44.55 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.725 0.298 . . . . 0.0 111.499 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.1 m -90.96 -12.65 35.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.728 0.299 . . . . 0.0 111.141 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 t70 64.01 3.83 1.81 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.68 0.792 . . . . 0.0 112.122 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -85.03 168.1 15.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.927 0.394 . . . . 0.0 110.286 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.736 HD11 ' HG2' ' A' ' 68' ' ' LYS . 48.3 mm -100.51 123.85 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.036 -178.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -65.96 -50.53 64.02 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.77 0.795 . . . . 0.0 109.269 174.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -174.95 177.23 2.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 113.955 -1.475 . . . . 0.0 108.83 -176.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.426 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 52.3 mt -96.89 145.23 9.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 58.6 mt -120.69 106.75 19.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.407 ' HB2' ' CG2' ' A' ' 90' ' ' THR . 1.8 p -105.08 113.13 26.54 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.27 0.557 . . . . 0.0 111.148 -174.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.585 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 8.4 m -85.74 134.68 33.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.855 174.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.41 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 0.4 OUTLIER -110.81 131.96 54.61 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.532 -171.671 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 90.5 m -126.1 109.69 12.66 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.84 172.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.521 ' HB2' HG21 ' A' ' 32' ' ' THR . 2.6 t-20 -82.89 119.47 24.44 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.142 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.405 ' HB ' ' H ' ' A' ' 114' ' ' LYS . 2.5 t -88.9 -113.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.206 -175.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.405 ' H ' ' HB ' ' A' ' 113' ' ' VAL . 7.6 ptpp? -147.72 -165.73 2.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.454 -0.153 . . . . 0.0 111.395 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 73.02 45.97 0.26 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 122.157 0.98 . . . . 0.0 110.486 173.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.7 p -154.9 44.49 0.5 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.817 177.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.3 m -142.81 142.71 31.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.021 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -82.51 -15.02 53.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.924 0.392 . . . . 0.0 110.579 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 . . . . . 0 C--O 1.245 0.826 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.544 175.238 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.458 ' HA2' ' OE2' ' A' ' 39' ' ' GLU . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.462 ' HB3' ' HG3' ' A' ' 36' ' ' GLN . . . -134.68 -64.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.699 0.25 . . . . 0.0 111.471 -177.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.581 ' HB2' ' HZ3' ' A' ' 81' ' ' LYS . 26.9 ttt 67.75 117.62 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.772 0.67 . . . . 0.0 110.755 -175.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' A' ' 3' ' ' MET . 7.7 m-20 75.89 144.46 0.08 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.868 -175.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.915 ' HB2' HG11 ' A' ' 30' ' ' VAL . 2.1 t-20 -144.18 -65.06 0.36 Allowed 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -175.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.5 t -142.96 137.53 26.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 114.514 -1.221 . . . . 0.0 108.447 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.1 m -68.46 95.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.176 0.512 . . . . 0.0 109.846 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.526 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 35.2 mt-30 -118.6 170.42 6.5 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.871 -173.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.526 ' HD2' ' HB3' ' A' ' 8' ' ' GLN . 87.6 Cg_exo -48.38 156.82 1.54 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.14 2.56 . . . . 0.0 112.701 170.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.42 ' HB ' ' HB3' ' A' ' 112' ' ' ASN . 0.8 OUTLIER -87.69 30.26 0.83 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.258 -176.662 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.574 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 50.3 mt-10 -132.46 134.26 44.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -131.31 151.47 51.47 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.652 176.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.4 mt -97.72 118.59 44.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.281 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.5 p -115.33 121.36 42.59 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.157 0.503 . . . . 0.0 110.358 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.53 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 29.9 mtm180 -102.49 113.23 26.4 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 175.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.402 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -131.5 147.29 52.53 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.596 -172.389 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -68.49 153.8 43.06 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.3 pt -51.07 -24.02 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 124.312 1.008 . . . . 0.0 113.39 -167.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -67.25 -19.89 65.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.076 0.465 . . . . 0.0 111.058 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.62 2.53 30.74 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.018 -173.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.0 mm -82.52 122.46 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 111.51 0.189 . . . . 0.0 111.51 -171.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.486 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 91.5 m-85 -76.28 120.04 20.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.748 0.309 . . . . 0.0 111.067 -177.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.2 t -118.07 -13.76 9.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.512 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.53 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 82.5 t80 -147.39 118.02 7.52 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 173.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.563 HG21 ' HB3' ' A' ' 40' ' ' LEU . 94.2 t -122.33 131.71 72.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.918 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -74.29 147.68 42.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.692 174.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.483 ' HA ' ' HG3' ' A' ' 37' ' ' PRO . 31.3 m80 -66.84 -15.49 63.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.231 -168.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.7 mtt85 -70.79 -3.89 21.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.948 0.404 . . . . 0.0 111.107 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.2 p -62.87 -35.76 81.06 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.029 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.915 HG11 ' HB2' ' A' ' 5' ' ' ASN . 9.7 m -59.99 -40.29 82.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.541 -179.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.41 -50.51 15.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.427 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.472 HG23 ' HB2' ' A' ' 112' ' ' ASN . 23.4 m -52.19 -54.45 30.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.783 177.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.605 HG12 ' CD1' ' A' ' 78' ' ' PHE . 17.1 m -127.64 -28.67 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -171.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.541 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 117.49 -21.71 10.53 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 119.413 -1.375 . . . . 0.0 113.212 -177.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.457 ' H ' HG21 ' A' ' 33' ' ' VAL . 22.2 m-85 -71.64 142.61 49.93 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.557 ' HA ' HG13 ' A' ' 30' ' ' VAL . 5.0 mm100 -86.45 161.12 49.45 Favored Pre-proline 0 C--N 1.312 -1.058 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 172.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.718 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 72.6 Cg_exo -49.42 -50.48 12.91 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.529 1.486 . . . . 0.0 110.04 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -58.05 -46.14 85.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.301 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.482 ' OE1' ' HG2' ' A' ' 36' ' ' GLN . 66.6 mt-10 -64.86 -26.74 68.46 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.613 0.244 . . . . 0.0 111.291 -174.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.563 ' HB3' HG21 ' A' ' 25' ' ' VAL . 18.7 tp -88.94 -25.95 21.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.855 0.359 . . . . 0.0 110.75 -177.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 88.7 mt -62.25 121.47 13.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.397 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.63 -5.84 40.88 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.946 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.507 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 9.0 mmpt? -108.69 156.52 19.48 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.512 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 31.1 t-20 -97.46 144.97 26.66 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 175.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.486 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 14.2 tt -60.71 -32.77 52.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 177.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.454 ' HA ' ' CB ' ' A' ' 49' ' ' CYS . 9.7 p -68.19 -22.7 27.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 120.761 0.315 . . . . 0.0 111.195 177.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.512 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 22.7 mm-40 -71.83 -31.58 66.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.383 0.611 . . . . 0.0 110.401 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -106.57 19.48 20.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.52 175.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.531 ' HG ' ' CD2' ' A' ' 57' ' ' LEU . 36.0 t -93.97 132.13 38.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.445 177.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 16.4 t-80 -48.17 126.89 12.1 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.211 175.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.23 -29.17 28.52 Favored 'Trans proline' 0 N--CA 1.479 0.647 0 C-N-CA 123.949 3.099 . . . . 0.0 114.372 -171.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -84.22 -8.49 59.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.06 0.457 . . . . 0.0 110.717 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.574 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 4.5 m-20 -120.82 1.32 10.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.71 -170.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 87.8 mt-30 -60.29 -42.01 94.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.242 -177.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.483 ' OE1' ' HD2' ' A' ' 58' ' ' ARG . 13.4 mm100 -73.34 -28.36 62.02 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.856 176.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.574 ' HB3' ' O ' ' A' ' 53' ' ' ASP . 17.1 tp -58.41 -43.83 88.79 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.531 ' CD2' ' HG ' ' A' ' 49' ' ' CYS . 4.3 mm? -62.41 -54.45 40.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.917 177.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.556 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 69.3 mtt180 -60.52 -46.71 89.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.413 -175.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.631 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 33.3 t70 -60.37 -46.2 90.81 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.189 0.519 . . . . 0.0 110.548 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.0 m -67.12 -35.27 79.39 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.659 -176.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.526 ' O ' HG23 ' A' ' 65' ' ' VAL . 14.2 m-30 -70.3 -32.11 69.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.161 175.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 84.3 mm-40 -67.11 -39.31 86.68 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.631 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 73.0 mm-40 -65.55 -42.89 91.36 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.294 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.874 HG11 ' HG ' ' A' ' 92' ' ' SER . 11.6 p -70.97 -25.13 25.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.83 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 61' ' ' PHE . 74.4 t -72.71 -29.29 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.384 0.611 . . . . 0.0 109.631 173.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 63.4 mttm -76.89 -29.46 55.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.836 173.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.809 ' HB3' ' HB2' ' A' ' 70' ' ' GLN . 37.9 mt -74.78 -58.16 3.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.191 178.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 99.0 mttt 58.78 98.28 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.8 0.688 . . . . 0.0 111.635 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.71 -20.05 47.69 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.529 -0.844 . . . . 0.0 112.607 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.809 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 2.8 mp0 -87.86 134.14 33.76 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.5 t -76.84 116.02 19.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.2 tt -116.43 130.74 56.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.962 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.9 m -105.18 122.65 46.35 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.856 0.36 . . . . 0.0 111.299 -174.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.7 p -121.59 134.98 63.2 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.78 0 CA-C-O 121.588 0.709 . . . . 0.0 109.789 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 27.6 ttt -119.67 124.32 45.98 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.39 -173.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.483 ' CG ' HD21 ' A' ' 57' ' ' LEU . 10.4 p90 -151.29 179.94 7.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.064 -170.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.533 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 76.6 mtp180 -106.5 119.52 39.49 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.79 0.329 . . . . 0.0 110.523 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.605 ' CD1' HG12 ' A' ' 33' ' ' VAL . 20.4 t80 -96.71 144.11 27.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.037 -176.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 3.9 ttm180 -83.07 104.67 13.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.102 0.477 . . . . 0.0 110.502 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.551 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -65.25 173.22 2.63 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.001 174.722 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.581 ' HZ3' ' HB2' ' A' ' 3' ' ' MET . 18.3 tptm -73.17 -3.35 26.08 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.536 0.684 . . . . 0.0 110.916 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.482 ' OD1' ' HB2' ' A' ' 80' ' ' SER . 18.4 p30 -103.52 7.73 37.77 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.97 176.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 68.54 14.97 9.14 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 114.249 -1.342 . . . . 0.0 112.205 176.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 56.3 mm-40 -88.25 166.47 14.31 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 171.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.578 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 37.3 m95 -124.19 87.45 2.73 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -173.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.567 ' HA ' ' HB2' ' A' ' 116' ' ' SER . 0.9 OUTLIER -89.67 160.8 16.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.352 0.596 . . . . 0.0 111.921 -173.866 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -83.09 121.39 26.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.391 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 11.0 ptp -132.16 143.59 50.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.248 0.547 . . . . 0.0 110.715 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -99.35 110.11 22.65 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.839 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.507 ' HA ' ' O ' ' A' ' 109' ' ' THR . 49.0 m -101.69 125.54 48.37 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.838 0.351 . . . . 0.0 111.093 -177.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.547 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 14.6 p -94.87 130.82 41.31 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.874 ' HG ' HG11 ' A' ' 64' ' ' VAL . 8.6 t -104.88 155.94 18.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.498 0.666 . . . . 0.0 110.936 -176.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.545 ' HE2' ' HD1' ' A' ' 95' ' ' PHE . 45.1 t80 -159.7 134.57 7.94 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.332 -1.304 . . . . 0.0 108.601 177.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.652 ' HB ' HD13 ' A' ' 103' ' ' ILE . 75.5 p -96.74 110.56 23.0 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.545 ' HD1' ' HE2' ' A' ' 93' ' ' PHE . 33.4 t80 -72.6 102.83 3.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.151 0.501 . . . . 0.0 110.38 -175.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 97.9 mt-30 -84.65 133.29 34.41 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.016 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -60.8 113.44 7.69 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 164.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.472 ' HG2' ' CE1' ' A' ' 99' ' ' TYR . 29.0 Cg_endo -63.38 -0.39 2.3 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 122.732 2.288 . . . . 0.0 113.656 -172.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.472 ' CE1' ' HG2' ' A' ' 98' ' ' PRO . 57.6 m-85 -113.82 -26.33 8.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 -179.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.442 ' HB2' ' HG3' ' A' ' 102' ' ' GLU . 14.4 m -130.66 1.06 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -173.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 63.16 11.48 5.31 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.296 0.638 . . . . 0.0 112.652 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.442 ' HG3' ' HB2' ' A' ' 100' ' ' SER . 40.1 mt-10 -66.45 141.4 57.93 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.652 HD13 ' HB ' ' A' ' 94' ' ' THR . 40.7 mm -92.35 103.15 14.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -61.86 -42.48 99.11 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.706 0.765 . . . . 0.0 109.698 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -178.97 176.86 0.87 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.958 -1.474 . . . . 0.0 109.099 -175.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.402 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 56.1 mt -98.71 140.6 18.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 175.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 57.3 mt -114.65 107.0 21.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' A' ' 91' ' ' SER . 89.2 m -112.81 135.29 53.72 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.207 0.527 . . . . 0.0 111.78 -175.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.507 ' O ' ' HA ' ' A' ' 90' ' ' THR . 52.8 m -99.65 130.64 45.89 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 170.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.574 ' O ' ' HA ' ' A' ' 11' ' ' GLU . 16.7 m120 -108.63 110.28 21.69 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -175.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.559 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 81.0 m -106.71 105.15 15.04 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.096 -176.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.472 ' HB2' HG23 ' A' ' 32' ' ' THR . 1.9 t-20 -74.54 116.27 15.03 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.9 t -90.3 -93.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.255 -176.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -154.15 170.22 21.71 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 48.1 t30 75.63 146.24 0.09 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.497 1.123 . . . . 0.0 112.269 169.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.567 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 50.8 m 68.39 28.45 6.14 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.37 177.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.29 -62.96 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.152 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -114.06 -159.71 0.7 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.968 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 C--O 1.251 1.15 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.164 -178.639 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.434 ' C ' ' H ' ' A' ' 4' ' ' ASP . . . -108.36 145.66 34.16 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.064 -0.346 . . . . 0.0 110.064 177.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 54.3 ttm 72.32 -18.52 0.33 Allowed 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.589 0.556 . . . . 0.0 111.84 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 2' ' ' ALA . 0.2 OUTLIER -74.51 140.44 44.52 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 178.273 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.424 ' CG ' HG13 ' A' ' 30' ' ' VAL . 6.9 p30 175.05 146.71 0.07 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.938 177.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -179.23 132.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.063 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.3 t 55.02 69.82 0.69 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.151 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.69 ' HB3' ' HG2' ' A' ' 28' ' ' ARG . 18.4 mm-40 -118.14 149.55 45.87 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.869 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 33.5 Cg_exo -60.4 160.12 24.8 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.219 2.612 . . . . 0.0 112.588 174.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 p -86.09 17.6 3.5 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -173.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.865 ' HG2' ' HA ' ' A' ' 111' ' ' THR . 45.7 mt-10 -124.77 133.48 53.13 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 173.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -131.69 154.96 48.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.894 0.378 . . . . 0.0 110.512 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.4 mt -99.44 120.1 48.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.736 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.5 p -106.17 113.65 27.3 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 121.471 0.653 . . . . 0.0 110.305 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.531 ' HB3' ' HB3' ' A' ' 24' ' ' PHE . 38.0 ttt180 -97.01 103.91 15.88 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 178.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -135.91 156.73 48.32 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.361 0.601 . . . . 0.0 112.38 -168.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -85.26 160.05 19.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.269 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.476 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 48.3 pt -57.63 -15.69 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -167.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -83.45 -2.23 55.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.158 0.504 . . . . 0.0 110.236 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 44' ' ' ASN . . . 93.18 10.29 59.76 Favored Glycine 0 N--CA 1.442 -0.962 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -178.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.7 mm -82.63 117.72 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 O-C-N 123.528 0.193 . . . . 0.0 110.692 -174.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.415 ' CD2' ' HG ' ' A' ' 40' ' ' LEU . 97.1 m-85 -75.56 113.4 12.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.641 0.258 . . . . 0.0 110.463 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.1 p -97.65 -32.68 11.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.662 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.531 ' HB3' ' HB3' ' A' ' 15' ' ' ARG . 87.1 t80 -139.77 124.39 18.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.348 175.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.6 t -124.89 133.45 69.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.058 -178.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -73.5 147.76 43.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.375 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.472 ' HA ' ' HG3' ' A' ' 37' ' ' PRO . 59.6 m80 -60.35 -17.5 43.72 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -173.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.69 ' HG2' ' HB3' ' A' ' 8' ' ' GLN . 67.5 mtm180 -68.15 -7.26 28.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.635 0.255 . . . . 0.0 111.502 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.6 p -57.5 -34.69 69.34 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.171 0.51 . . . . 0.0 111.313 176.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.674 HG12 ' HA ' ' A' ' 36' ' ' GLN . 4.7 m -66.58 -34.91 73.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.258 -178.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.04 -51.38 9.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.093 -176.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.417 HG23 ' HB2' ' A' ' 112' ' ' ASN . 24.5 m -53.78 -47.28 70.93 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 178.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.702 HG12 ' CD1' ' A' ' 78' ' ' PHE . 16.6 m -131.18 -34.01 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -173.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.2 -11.54 9.85 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 119.158 -1.496 . . . . 0.0 113.812 -177.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.448 ' H ' HG21 ' A' ' 33' ' ' VAL . 24.2 m-85 -82.47 137.27 34.71 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 117.444 0.622 . . . . 0.0 110.019 178.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.674 ' HA ' HG12 ' A' ' 30' ' ' VAL . 4.3 mm100 -83.73 154.83 65.19 Favored Pre-proline 0 C--N 1.314 -0.952 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 177.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.627 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 84.7 Cg_exo -46.99 -51.41 9.34 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.687 2.258 . . . . 0.0 112.176 -174.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -64.79 -37.46 87.69 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.707 -176.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -68.01 -26.39 65.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.947 0.404 . . . . 0.0 110.654 -174.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.415 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 18.3 tp -86.18 -27.23 24.67 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.348 -178.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 68.2 mt -62.3 116.37 4.98 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.78 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.4 -6.68 36.42 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.596 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.729 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -103.09 156.09 17.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.77 0.319 . . . . 0.0 110.591 177.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.584 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 10.0 m120 -89.72 144.5 25.93 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 174.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.8 tt -62.82 -20.48 25.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.429 173.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.464 HG11 ' HG2' ' A' ' 54' ' ' GLN . 61.6 t -76.75 -29.28 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.667 179.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.584 ' HG2' ' HB2' ' A' ' 44' ' ' ASN . 17.0 mm-40 -62.79 -31.19 72.11 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.581 0.705 . . . . 0.0 110.093 176.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -109.21 21.3 17.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.778 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.536 ' SG ' HD12 ' A' ' 57' ' ' LEU . 35.0 t -99.21 131.79 44.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.971 176.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.505 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 19.1 t-80 -44.98 122.46 4.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.82 175.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.422 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 76.7 Cg_exo -51.87 -24.34 18.52 Favored 'Trans proline' 0 N--CA 1.477 0.505 0 C-N-CA 123.662 2.908 . . . . 0.0 114.258 -172.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -93.84 -5.08 48.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.927 0.394 . . . . 0.0 110.912 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -112.27 3.77 17.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -173.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.464 ' HG2' HG11 ' A' ' 46' ' ' VAL . 66.1 mt-30 -67.02 -43.17 83.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.787 -173.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -72.07 -29.93 64.63 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.3 tp -59.12 -47.94 83.41 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.766 175.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.536 HD12 ' SG ' ' A' ' 49' ' ' CYS . 12.7 mt -66.33 -47.96 71.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.846 174.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.46 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 68.1 ttt180 -53.4 -55.53 24.27 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.452 0.47 . . . . 0.0 110.954 -176.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.64 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 21.4 t70 -56.27 -46.72 79.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.326 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.3 m -69.2 -31.65 70.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.213 -174.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.48 ' O ' HG21 ' A' ' 65' ' ' VAL . 15.0 m-30 -70.89 -33.3 70.45 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 175.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 18.0 mm-40 -69.14 -39.64 78.72 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.689 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 83.5 mm-40 -58.78 -47.89 83.15 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.588 178.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.506 HG22 ' HB2' ' A' ' 92' ' ' SER . 9.1 p -71.33 -20.6 21.33 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.576 -177.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 61' ' ' PHE . 54.6 t -71.5 -26.2 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.83 0.824 . . . . 0.0 109.446 171.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -87.66 -55.92 3.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.156 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 3.9 pp -90.31 9.15 29.94 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -172.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 64' ' ' VAL . 0.2 OUTLIER -42.52 140.45 1.25 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.849 173.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.17 -32.0 7.21 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 108.499 -1.84 . . . . 0.0 108.499 -166.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -105.5 139.87 39.46 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 169.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.4 t -76.58 123.8 33.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.956 0.408 . . . . 0.0 110.045 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.448 HD22 HD11 ' A' ' 67' ' ' LEU . 1.6 tm? -103.93 116.69 32.72 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -176.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.407 ' HB3' ' HD2' ' A' ' 89' ' ' ARG . 27.6 m -100.64 120.83 40.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.825 0.345 . . . . 0.0 110.186 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.7 p -121.84 137.26 56.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 121.547 0.689 . . . . 0.0 110.231 178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.7 ttt -109.46 132.81 53.79 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.943 -175.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.48 ' HE1' ' OG1' ' A' ' 90' ' ' THR . 14.6 p90 -160.16 178.21 9.89 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 123.407 0.442 . . . . 0.0 109.921 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.604 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 51.3 mtp180 -108.1 117.97 35.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.903 0.382 . . . . 0.0 110.547 -179.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.702 ' CD1' HG12 ' A' ' 33' ' ' VAL . 13.0 t80 -94.82 147.79 22.98 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.843 -175.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -83.05 105.66 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.202 0.525 . . . . 0.0 111.322 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.421 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 34.3 t -58.46 161.21 4.65 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.529 168.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -65.21 -10.95 35.86 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.262 0.553 . . . . 0.0 110.677 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -97.74 7.79 45.8 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 65.94 32.64 8.39 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -99.18 156.28 17.04 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.087 -0.96 . . . . 0.0 108.891 173.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -119.63 94.52 4.43 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 121.157 0.503 . . . . 0.0 110.153 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.604 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.7 pp -100.37 168.61 9.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.376 -174.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -89.56 130.67 35.84 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.608 -176.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.44 ' HA ' HG21 ' A' ' 113' ' ' VAL . 10.3 ptp -140.66 139.39 34.8 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.019 0.438 . . . . 0.0 110.873 169.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.407 ' HD2' ' HB3' ' A' ' 73' ' ' SER . 10.1 ttp180 -95.64 115.06 26.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.177 175.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.48 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 58.8 m -96.44 125.08 40.68 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.918 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.545 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 19.2 m -97.09 122.09 39.71 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 176.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.506 ' HB2' HG22 ' A' ' 64' ' ' VAL . 2.5 m -111.84 144.5 41.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.317 0.579 . . . . 0.0 112.115 -172.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.477 ' CE1' ' HA ' ' A' ' 95' ' ' PHE . 16.7 t80 -145.73 134.65 22.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.56 168.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.488 ' HB ' HD13 ' A' ' 103' ' ' ILE . 21.7 p -98.87 121.37 40.74 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.477 ' HA ' ' CE1' ' A' ' 93' ' ' PHE . 4.2 t80 -76.9 104.12 7.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.169 0.509 . . . . 0.0 110.213 -174.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.413 ' NE2' ' HE2' ' A' ' 68' ' ' LYS . 19.1 mt-30 -88.66 130.15 35.36 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.398 175.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -74.26 117.81 64.68 Favored Pre-proline 0 C--N 1.32 -0.71 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 173.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.75 -6.51 15.74 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 122.528 2.152 . . . . 0.0 114.204 -167.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -118.0 29.7 7.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.998 0.428 . . . . 0.0 111.101 -178.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.5 t -168.64 -20.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.463 176.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 63.88 20.18 12.09 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.444 0.698 . . . . 0.0 112.05 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -91.71 156.68 17.4 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 174.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.488 HD13 ' HB ' ' A' ' 94' ' ' THR . 77.9 mt -99.89 121.06 50.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.696 0.76 . . . . 0.0 111.025 -177.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 8.4 mt-10 -73.34 -53.13 11.52 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.042 -1.435 . . . . 0.0 109.576 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -167.69 -176.39 3.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.194 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 45.3 mt -113.77 143.4 23.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.692 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.0 mt -120.32 106.79 19.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.545 ' HA ' ' O ' ' A' ' 91' ' ' SER . 98.3 m -118.47 136.84 53.56 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -174.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 32.5 m -98.59 137.47 37.18 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 170.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -113.23 110.65 20.73 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.865 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 80.9 m -103.99 116.29 31.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.92 -176.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.417 ' HB2' HG23 ' A' ' 32' ' ' THR . 3.1 t-20 -74.99 109.59 8.58 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.39 -0.966 . . . . 0.0 108.39 176.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.522 ' HB ' ' H ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -93.35 -127.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.866 -172.417 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.522 ' H ' ' HB ' ' A' ' 113' ' ' VAL . 21.7 mtpp -55.88 -31.64 62.98 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 122.573 0.349 . . . . 0.0 111.709 -175.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 64.0 t30 71.49 96.39 0.07 Allowed 'General case' 0 CA--C 1.533 0.303 0 O-C-N 123.427 0.454 . . . . 0.0 111.292 168.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.79 -35.48 79.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.909 -175.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.1 t -134.07 175.22 9.68 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -176.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.448 ' HA ' ' OE1' ' A' ' 118' ' ' GLN . 13.2 mm-40 64.77 32.03 11.34 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.345 0.593 . . . . 0.0 110.528 -174.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.249 -0.881 . . . . 0.0 108.967 176.873 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.47 152.01 25.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 176.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.25 -73.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -174.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -103.0 98.74 8.65 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.715 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . 0.8 OUTLIER -148.56 68.02 1.07 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.06 -175.313 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.2 m -98.75 -172.92 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.85 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.8 m 62.29 47.09 5.59 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.642 0.734 . . . . 0.0 110.886 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.648 ' HB3' ' HG2' ' A' ' 28' ' ' ARG . 15.3 mm100 -116.45 149.41 43.67 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.049 -178.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.518 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 32.6 Cg_exo -60.71 158.33 33.34 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.891 2.394 . . . . 0.0 111.672 174.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.15 23.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.127 0.489 . . . . 0.0 111.904 -176.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.609 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 2.5 tm-20 -128.26 133.42 48.79 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 174.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -138.95 139.15 37.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.175 0.512 . . . . 0.0 110.841 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.0 tt -96.92 144.4 10.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.375 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.7 t -145.17 143.22 30.21 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.27 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 15' ' ' ARG . 48.6 mtm105 -108.14 131.21 54.88 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 174.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.647 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 1.4 p-80 -138.59 157.89 45.29 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 119.781 -0.768 . . . . 0.0 112.007 -176.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.94 148.18 52.28 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.998 -1.001 . . . . 0.0 108.619 175.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.5 pt -51.83 -26.21 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 O-C-N 124.306 1.004 . . . . 0.0 113.708 -168.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -78.68 -8.11 58.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.458 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.16 15.98 18.02 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.656 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.4 mm -91.45 118.36 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.919 0.359 . . . . 0.0 110.427 -175.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 40' ' ' LEU . 72.1 m-85 -62.09 130.6 46.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.021 0.439 . . . . 0.0 111.688 -177.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 m -114.08 -40.36 3.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.279 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -147.72 133.77 19.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.425 ' CG1' ' HB2' ' A' ' 29' ' ' CYS . 98.1 t -129.36 136.79 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.162 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -75.91 149.27 37.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.314 0.578 . . . . 0.0 110.268 174.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.715 ' HB3' ' HB2' ' A' ' 5' ' ' ASN . 67.1 m80 -57.99 -17.81 19.76 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.126 -0.943 . . . . 0.0 112.91 -175.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.648 ' HG2' ' HB3' ' A' ' 8' ' ' GLN . 98.5 mtt180 -61.25 -14.78 28.6 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.099 0.249 . . . . 0.0 111.359 176.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.425 ' HB2' ' CG1' ' A' ' 25' ' ' VAL . 43.3 t -50.05 -43.82 51.27 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.393 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.5 m -65.79 -27.86 42.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 111.042 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.68 -52.11 9.51 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.524 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 m -63.47 -52.1 62.79 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 80' ' ' SER . 28.0 m -127.68 10.11 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -168.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.05 -28.97 1.89 Allowed Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.292 -0.956 . . . . 0.0 113.824 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.402 ' HE2' ' HB3' ' A' ' 48' ' ' PHE . 12.6 m-85 -71.17 142.31 50.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.234 0.54 . . . . 0.0 111.355 -176.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.472 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 4.8 mm100 -83.86 146.63 49.62 Favored Pre-proline 0 C--N 1.315 -0.933 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.559 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 82.6 Cg_exo -45.66 -42.72 18.97 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 122.202 1.935 . . . . 0.0 112.093 -179.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -56.43 -40.91 75.55 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.7 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.472 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 34.8 mm-40 -62.98 -27.22 69.26 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.223 0.535 . . . . 0.0 111.125 -171.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.578 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 89.0 mt -89.17 -31.16 18.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.656 -175.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 53.7 mt -61.81 112.51 2.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.821 -172.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.91 -8.85 33.97 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.227 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.425 ' HE3' ' HB3' ' A' ' 43' ' ' LYS . 22.8 mtpp -118.12 165.34 13.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.763 0.316 . . . . 0.0 110.603 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.559 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 5.3 t-20 -87.65 144.06 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.05 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.581 HG12 ' SG ' ' A' ' 49' ' ' CYS . 12.2 tt -57.62 -38.6 65.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.439 174.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.1 -30.09 45.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.356 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.559 ' HG3' ' HB3' ' A' ' 44' ' ' ASN . 39.5 mt-10 -65.02 -19.6 66.08 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.124 0.487 . . . . 0.0 110.499 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.437 ' HD1' HH21 ' A' ' 79' ' ' ARG . 65.5 m-85 -116.0 14.83 16.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.254 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.581 ' SG ' HG12 ' A' ' 45' ' ' ILE . 88.9 m -100.4 148.06 25.14 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.384 178.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.568 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 40.8 t-80 -49.28 128.46 16.75 Favored Pre-proline 0 N--CA 1.465 0.302 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.16 175.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 50' ' ' HIS . 74.6 Cg_exo -51.91 -34.46 56.02 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 124.065 3.177 . . . . 0.0 114.17 -174.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -84.2 -7.07 59.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.956 0.408 . . . . 0.0 110.871 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -111.39 -8.89 14.28 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -173.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' A' ' 50' ' ' HIS . 97.9 mt-30 -66.24 -34.11 77.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.741 -175.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.477 ' O ' ' HB3' ' A' ' 58' ' ' ARG . 10.3 tm0? -77.2 -37.23 53.92 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.0 tp -59.6 -47.96 83.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.305 177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.548 HD11 ' CD2' ' A' ' 76' ' ' PHE . 62.3 mt -62.84 -34.43 77.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.211 177.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.64 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 49.8 ttt180 -55.84 -54.95 38.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.671 175.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.561 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 19.0 t70 -68.63 -39.92 80.56 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.497 0.184 . . . . 0.0 111.497 -176.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.475 ' OG ' ' HA ' ' A' ' 57' ' ' LEU . 6.1 p -67.79 -44.21 77.91 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.318 0.58 . . . . 0.0 111.289 -175.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.499 ' O ' HG22 ' A' ' 65' ' ' VAL . 5.2 m-85 -59.33 -36.18 75.21 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.822 175.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.64 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 87.3 mm-40 -67.85 -35.46 78.6 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.59 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.565 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 40.0 mm-40 -57.31 -51.84 67.74 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.147 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.49 HG13 ' HB3' ' A' ' 92' ' ' SER . 12.2 p -66.04 -31.08 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.037 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.518 ' HA ' HG22 ' A' ' 94' ' ' THR . 78.1 t -68.71 -34.99 67.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.219 0.533 . . . . 0.0 110.195 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 16.3 ptpt -88.05 -17.72 30.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.112 177.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 75.4 mt -76.05 -52.75 9.52 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 173.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 98.0 mttt 62.54 97.98 0.03 OUTLIER 'General case' 0 C--O 1.235 0.339 0 O-C-N 123.844 0.715 . . . . 0.0 112.601 175.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.88 -18.05 50.96 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.473 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -90.96 129.75 36.95 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.8 p -76.83 121.44 29.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.57 ' HB3' ' HB2' ' A' ' 92' ' ' SER . 15.4 tp -106.12 144.28 33.06 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.374 -174.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.413 ' HB3' ' HD3' ' A' ' 89' ' ' ARG . 25.2 m -111.4 121.32 44.91 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.891 0.377 . . . . 0.0 111.044 175.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.9 p -129.54 132.94 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.59 0 CA-C-O 121.611 0.72 . . . . 0.0 109.673 173.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.9 ttt -109.55 124.0 50.37 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.924 -175.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.548 ' CD2' HD11 ' A' ' 57' ' ' LEU . 18.8 p90 -146.46 178.11 8.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.031 -175.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.615 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 38.9 mtm180 -108.13 114.36 28.2 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 176.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.487 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 4.9 t80 -83.98 147.31 27.52 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.722 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 54.0 ttp180 -88.93 105.59 17.87 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.097 178.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.622 ' HB3' ' HB2' ' A' ' 84' ' ' GLU . 30.1 t -58.17 167.29 1.33 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.203 173.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -67.3 -9.52 41.71 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.603 -176.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -103.83 13.46 32.87 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 66.08 38.12 4.92 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 114.154 -1.385 . . . . 0.0 110.597 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.722 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 20.0 mt-10 -94.25 158.5 15.56 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.638 -1.164 . . . . 0.0 109.601 177.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.513 ' CZ3' ' HA ' ' A' ' 50' ' ' HIS . 31.0 m95 -117.6 83.26 1.96 Allowed 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 120.763 0.316 . . . . 0.0 110.387 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.787 HD13 ' HE1' ' A' ' 88' ' ' MET . 0.3 OUTLIER -92.82 166.01 12.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.08 -178.244 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.79 ' HB2' ' HB2' ' A' ' 114' ' ' LYS . 92.9 m95 -101.01 122.46 43.57 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -170.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.787 ' HE1' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -136.19 147.98 47.91 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.159 0.504 . . . . 0.0 110.57 172.901 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.413 ' HD3' ' HB3' ' A' ' 73' ' ' SER . 37.1 ttm180 -106.85 117.27 33.62 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.08 174.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.509 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 86.9 m -94.67 133.53 38.23 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.315 -176.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.4 m -88.34 114.82 25.35 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.478 -0.783 . . . . 0.0 108.998 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.57 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 5.1 m -93.77 120.41 34.0 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.324 -176.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -129.83 135.06 47.97 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.536 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.518 HG22 ' HA ' ' A' ' 65' ' ' VAL . 20.8 p -100.0 108.82 21.11 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 176.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.515 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 2.6 t80 -81.02 117.3 21.51 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.994 ' HG2' HG12 ' A' ' 103' ' ' ILE . 16.0 mt-30 -124.45 142.39 51.35 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.484 -172.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -72.65 110.63 8.67 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 174.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.465 ' HG2' ' CD1' ' A' ' 99' ' ' TYR . 18.5 Cg_endo -59.36 -18.98 48.63 Favored 'Trans proline' 0 N--CA 1.471 0.19 0 C-N-CA 122.985 2.457 . . . . 0.0 113.21 -173.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.465 ' CD1' ' HG2' ' A' ' 98' ' ' PRO . 55.5 m-85 -97.55 3.87 50.47 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.19 -176.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.8 t -143.72 -17.35 0.61 Allowed 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -178.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 74.19 -13.96 0.73 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.93 0.892 . . . . 0.0 112.451 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -69.04 146.43 52.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.88 0.371 . . . . 0.0 110.825 -176.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.994 HG12 ' HG2' ' A' ' 96' ' ' GLN . 60.7 mt -94.64 112.97 28.18 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.594 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.928 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 4.8 pt-20 -69.67 -41.32 75.65 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.503 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.468 ' HB2' ' O ' ' A' ' 16' ' ' HIS . 24.3 p90 -173.91 173.68 3.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.951 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.647 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 65.7 mt -100.97 144.52 12.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.587 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 63.3 mt -113.44 115.52 49.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.6 p -113.4 112.43 23.63 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.274 0.559 . . . . 0.0 111.622 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.3 m -90.24 136.21 33.19 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 171.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.436 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 33.7 m-80 -126.49 110.75 13.63 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.914 -171.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.1 m -108.19 127.12 53.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.306 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -81.52 116.57 21.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.959 0.409 . . . . 0.0 110.106 -177.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.409 HG11 ' HG3' ' A' ' 114' ' ' LYS . 24.1 t -95.05 -53.03 8.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.756 0.789 . . . . 0.0 110.311 -178.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.79 ' HB2' ' HB2' ' A' ' 87' ' ' TRP . 29.4 mtpp -135.55 168.99 18.23 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.647 -1.16 . . . . 0.0 109.307 -175.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -114.94 11.48 16.58 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.263 0.554 . . . . 0.0 109.648 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.5 t 73.86 136.81 0.05 Allowed 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.746 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.2 p -75.82 63.13 1.63 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.691 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.9 -45.56 93.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.478 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.236 -179.798 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.066 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.49 ' HA ' ' CD2' ' A' ' 27' ' ' HIS . . . 68.63 -70.36 0.13 Allowed 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -172.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.6 ttt -81.62 137.27 35.5 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 164.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.3 t70 63.55 98.53 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.661 0.6 . . . . 0.0 111.699 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.492 ' HB2' HG23 ' A' ' 30' ' ' VAL . 5.8 m-80 -137.84 149.47 46.34 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.102 -1.074 . . . . 0.0 108.102 177.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.74 126.68 69.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -174.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.0 m 64.41 81.25 0.21 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.211 -0.904 . . . . 0.0 113.138 171.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.575 ' HB3' ' HG2' ' A' ' 28' ' ' ARG . 22.0 mp0 -118.26 158.29 46.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.667 174.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.583 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 31.7 Cg_exo -61.23 155.71 49.84 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.973 2.448 . . . . 0.0 111.796 168.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.68 33.0 0.57 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.193 0.521 . . . . 0.0 112.018 -174.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.477 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 9.1 pt-20 -142.88 135.66 27.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.746 173.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -130.49 153.43 48.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.144 0.497 . . . . 0.0 110.897 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.9 mt -102.78 128.7 55.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.483 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.0 t -127.2 140.67 52.08 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.26 0.553 . . . . 0.0 111.049 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.446 ' HG2' HG12 ' A' ' 107' ' ' ILE . 77.8 mtt180 -110.6 121.65 45.85 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 173.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.42 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -139.32 153.58 47.76 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.095 0.474 . . . . 0.0 111.294 -172.832 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.44 147.09 52.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.836 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.488 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 44.0 pt -50.08 -25.29 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 124.452 1.095 . . . . 0.0 113.588 -169.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -75.69 -9.51 58.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.215 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.41 9.41 33.6 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.254 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.1 mm -88.26 122.08 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -175.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.47 ' CD2' ' HG ' ' A' ' 40' ' ' LEU . 93.6 m-85 -69.22 126.14 28.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.998 0.427 . . . . 0.0 111.346 -176.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.2 m -109.72 -39.26 5.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.493 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -141.68 132.56 25.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.466 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.431 ' HB ' ' HB3' ' A' ' 37' ' ' PRO . 97.6 t -130.59 137.9 55.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.709 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -75.87 149.22 37.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.071 0.462 . . . . 0.0 110.662 175.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.49 ' CD2' ' HA ' ' A' ' 2' ' ' ALA . 34.6 m170 -59.11 -16.03 17.29 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -173.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.583 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 84.3 mtm180 -68.43 0.02 4.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.074 0.464 . . . . 0.0 111.263 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.564 ' HG ' ' HB2' ' A' ' 35' ' ' TYR . 32.2 t -58.36 -38.33 77.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.139 176.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.492 HG23 ' HB2' ' A' ' 5' ' ' ASN . 27.2 m -69.32 -31.34 49.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.137 0.494 . . . . 0.0 111.431 -177.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.531 ' HB1' ' HB2' ' A' ' 8' ' ' GLN . . . -77.63 -52.23 9.34 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.487 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -60.25 -54.76 41.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.721 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.507 HG13 ' CD1' ' A' ' 78' ' ' PHE . 35.3 m -132.09 10.79 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -170.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.642 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 77.98 -18.61 4.92 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 120.58 -0.819 . . . . 0.0 114.351 173.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.564 ' HB2' ' HG ' ' A' ' 29' ' ' CYS . 23.1 m-85 -75.25 148.11 39.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.507 0.653 . . . . 0.0 111.182 -178.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.571 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -85.33 137.63 36.8 Favored Pre-proline 0 C--N 1.315 -0.916 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 169.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.652 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 86.4 Cg_exo -41.14 -50.92 4.12 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.636 2.224 . . . . 0.0 112.453 -177.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -56.91 -42.9 80.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.745 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.571 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 38.4 mm-40 -61.8 -33.12 73.54 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.439 0.638 . . . . 0.0 110.493 -176.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.47 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 18.8 tp -81.47 -28.46 34.11 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.105 -177.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 57.2 mt -60.85 117.51 5.51 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.461 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.64 -28.35 7.13 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.869 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.793 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 10.5 mmpt? -91.03 155.14 18.91 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.972 0.415 . . . . 0.0 110.236 178.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.503 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 10.0 t-20 -87.1 144.05 27.04 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 170.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.439 HG13 ' HE2' ' A' ' 78' ' ' PHE . 15.2 tt -58.32 -25.04 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.033 175.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.3 p -72.41 -23.58 21.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.721 0.296 . . . . 0.0 110.607 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.503 ' HG3' ' HB3' ' A' ' 44' ' ' ASN . 46.4 mt-10 -72.81 -19.32 61.36 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.109 0.481 . . . . 0.0 110.486 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -118.48 17.4 13.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.248 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.44 ' HG ' ' HD2' ' A' ' 76' ' ' PHE . 41.8 t -98.64 132.03 44.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.057 173.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.565 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 54.9 t60 -46.86 123.4 7.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.116 174.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.448 ' HA ' ' CD ' ' A' ' 54' ' ' GLN . 6.9 Cg_endo -49.79 -23.23 8.15 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 124.202 3.268 . . . . 0.0 114.758 -172.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -87.55 -6.13 58.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.261 -0.275 . . . . 0.0 111.413 -178.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.55 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 45.6 m-20 -110.52 -17.87 13.33 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 120.728 0.299 . . . . 0.0 110.41 -178.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.448 ' CD ' ' HA ' ' A' ' 51' ' ' PRO . 81.2 mt-30 -53.67 -29.28 37.9 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.259 0.624 . . . . 0.0 111.953 -178.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -74.08 -48.8 27.27 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.746 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 53' ' ' ASP . 4.6 pp -66.53 -29.85 70.03 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.923 0.868 . . . . 0.0 108.991 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.527 ' N ' HD13 ' A' ' 56' ' ' LEU . 20.6 tp -64.22 -52.12 60.37 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.854 174.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 54' ' ' GLN . 98.4 mtt180 -55.59 -48.1 75.39 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.269 0.556 . . . . 0.0 110.203 175.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.631 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 23.1 t70 -61.04 -41.56 96.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.423 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.4 p -65.13 -41.53 94.73 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.38 0.609 . . . . 0.0 110.801 -175.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.534 ' O ' HG22 ' A' ' 65' ' ' VAL . 4.1 m-85 -60.31 -37.92 82.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.909 176.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 30.9 mm-40 -68.57 -37.07 79.57 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.664 178.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.631 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 31.0 mm-40 -62.1 -48.33 80.65 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.98 HG12 ' HG ' ' A' ' 92' ' ' SER . 10.6 p -70.75 -24.34 24.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.589 -176.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 61' ' ' PHE . 70.8 t -70.63 -27.99 32.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.469 0.652 . . . . 0.0 109.429 174.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -83.86 -31.77 25.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.447 174.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.581 HD13 HD23 ' A' ' 72' ' ' LEU . 54.0 mt -90.72 29.38 1.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.108 -177.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.477 ' HD3' ' OE1' ' A' ' 96' ' ' GLN . 95.2 mttt -36.47 101.7 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.2 -27.52 6.08 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.758 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -97.11 142.41 29.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.796 0.331 . . . . 0.0 110.572 -178.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.5 t -77.77 120.37 28.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.947 177.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.581 HD23 HD13 ' A' ' 67' ' ' LEU . 1.3 tm? -113.78 115.52 27.91 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -177.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.1 p -100.35 126.76 46.75 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.296 0.569 . . . . 0.0 111.654 -175.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.2 p -115.57 130.06 70.83 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 CA-C-O 121.872 0.844 . . . . 0.0 110.338 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.8 ttt -105.43 126.99 52.74 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 114.413 -1.267 . . . . 0.0 109.362 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.758 ' HE1' ' HG1' ' A' ' 90' ' ' THR . 25.9 p90 -159.48 178.57 9.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.931 -174.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.565 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 41.1 mtt180 -102.16 115.07 29.77 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.507 ' CD1' HG13 ' A' ' 33' ' ' VAL . 15.9 t80 -99.1 140.28 33.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.689 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 15.1 ttp180 -81.43 118.95 23.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.062 0.458 . . . . 0.0 111.688 -178.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.428 ' HB2' HD21 ' A' ' 86' ' ' LEU . 32.1 t -78.33 177.29 8.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.529 173.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.642 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 19.6 tptm -69.53 -7.21 36.34 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 111.023 -177.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -103.48 11.79 35.97 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.576 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 66.43 25.2 10.29 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 114.552 -1.204 . . . . 0.0 112.035 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.689 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 23.1 mm-40 -101.6 167.66 9.98 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.321 175.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.52 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 68.6 m95 -120.05 93.97 4.23 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.162 -173.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.544 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -93.48 155.18 17.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.308 0.575 . . . . 0.0 111.846 -175.03 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.42 ' HB2' ' HB2' ' A' ' 114' ' ' LYS . 97.2 m95 -80.26 97.62 7.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.673 -177.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.483 ' CE ' ' HB3' ' A' ' 110' ' ' ASN . 0.5 OUTLIER -112.06 132.19 54.97 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.525 177.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -100.84 111.61 23.86 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.758 ' HG1' ' HE1' ' A' ' 76' ' ' PHE . 85.4 m -95.97 122.18 38.51 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.664 -177.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 34.1 m -95.57 120.13 35.27 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.98 ' HG ' HG12 ' A' ' 64' ' ' VAL . 11.3 t -101.29 153.85 19.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.47 0.652 . . . . 0.0 111.231 -173.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.572 ' HE2' ' HD1' ' A' ' 95' ' ' PHE . 55.5 t80 -156.09 133.3 10.69 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.164 -1.38 . . . . 0.0 108.648 173.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.466 HG23 ' HA ' ' A' ' 65' ' ' VAL . 42.7 p -87.47 103.33 15.42 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.572 ' HD1' ' HE2' ' A' ' 93' ' ' PHE . 16.8 t80 -73.08 110.16 7.16 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.595 0.712 . . . . 0.0 109.576 -176.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.573 ' HG2' HG12 ' A' ' 103' ' ' ILE . 24.7 mt-30 -110.76 147.55 34.19 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.009 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -68.05 114.54 21.36 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 174.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -56.79 -17.81 24.71 Favored 'Trans proline' 0 N--CA 1.472 0.223 0 C-N-CA 123.179 2.586 . . . . 0.0 113.027 -175.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -101.83 -2.42 30.04 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.28 -176.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.1 m -131.94 -21.14 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -176.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.4 t70 67.48 14.32 9.57 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.368 0.604 . . . . 0.0 111.345 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -105.04 152.28 22.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.826 -0.546 . . . . 0.0 110.267 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.573 HG12 ' HG2' ' A' ' 96' ' ' GLN . 69.1 mt -88.72 131.79 35.24 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.46 0 CA-C-O 120.9 0.381 . . . . 0.0 110.553 -175.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 4.0 pt-20 -94.72 -39.9 10.06 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.018 173.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -174.13 175.87 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.972 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.488 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 67.5 mt -98.62 144.29 11.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.446 HG12 ' HG2' ' A' ' 15' ' ' ARG . 46.7 mt -117.41 115.21 47.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 175.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 91' ' ' SER . 22.3 p -117.95 135.12 54.33 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.398 0.618 . . . . 0.0 111.308 -174.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 26.4 m -94.09 121.53 35.67 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.736 171.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.483 ' HB3' ' CE ' ' A' ' 88' ' ' MET . 16.1 m120 -108.46 109.32 20.56 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 -175.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.4 m -117.7 130.31 56.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.93 0.395 . . . . 0.0 111.238 -173.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -83.26 112.9 20.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.096 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.428 ' HB ' ' H ' ' A' ' 114' ' ' LYS . 12.6 t -94.42 -84.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.528 0.68 . . . . 0.0 109.265 177.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.428 ' H ' ' HB ' ' A' ' 113' ' ' VAL . 48.5 mtpt -98.12 167.39 10.91 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.988 172.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.439 ' HA ' ' CB ' ' A' ' 86' ' ' LEU . 3.1 p-10 -115.86 8.27 14.72 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.687 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.5 t 68.42 -76.19 0.06 Allowed 'General case' 0 C--N 1.332 -0.156 0 O-C-N 124.048 0.842 . . . . 0.0 111.109 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.9 p -159.14 178.79 9.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.619 0.247 . . . . 0.0 111.047 -174.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -132.02 77.94 1.79 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.363 -173.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.686 ' HB3' ' HG2' ' A' ' 38' ' ' GLN . . . -134.23 92.34 2.92 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.91 0.386 . . . . 0.0 110.482 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -171.89 -66.24 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.489 -175.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -92.2 112.63 24.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.561 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -164.47 150.74 10.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.8 p -171.39 150.24 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -178.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.1 t 70.07 65.24 0.22 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.638 0.732 . . . . 0.0 109.832 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.712 ' HA ' HE21 ' A' ' 8' ' ' GLN . 0.0 OUTLIER -118.61 151.02 49.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.726 -179.725 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.858 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 48.9 Cg_exo -57.34 164.23 7.21 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.817 2.345 . . . . 0.0 112.348 175.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.74 17.71 18.69 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.051 0.453 . . . . 0.0 111.811 -171.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 0.5 OUTLIER -133.73 135.74 44.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 169.595 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -127.91 151.35 49.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.075 0.464 . . . . 0.0 111.253 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.3 mt -98.4 120.82 48.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.885 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.8 p -118.02 125.0 49.51 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.061 0.458 . . . . 0.0 110.368 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -105.94 124.18 49.16 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 176.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.507 ' HB3' ' HA ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -145.16 158.2 43.88 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -170.032 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.616 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -59.19 144.81 44.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 113.861 -1.518 . . . . 0.0 109.387 176.288 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.8 pt -53.23 -24.43 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -170.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -78.03 -12.32 59.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.688 0.28 . . . . 0.0 110.902 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.81 4.05 21.51 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.66 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.616 ' HB ' ' HB3' ' A' ' 17' ' ' ASN . 41.4 mm -82.09 111.43 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 116.776 0.288 . . . . 0.0 110.904 -172.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.507 ' HA ' ' HB3' ' A' ' 16' ' ' HIS . 96.5 m-85 -63.96 118.63 8.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.867 0.365 . . . . 0.0 111.759 -177.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 p -108.63 -30.22 8.33 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.292 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -139.3 122.65 17.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.384 176.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.9 t -129.3 136.44 59.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.673 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -84.49 149.5 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.31 0.576 . . . . 0.0 110.9 176.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -54.8 -20.95 9.69 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.88 -173.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.858 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 80.1 mtm180 -63.28 -8.41 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 111.816 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.1 p -63.19 -33.17 74.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.625 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 36' ' ' GLN . 3.9 m -66.25 -32.16 56.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.945 0.402 . . . . 0.0 110.957 -174.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.434 ' HB3' ' HB2' ' A' ' 8' ' ' GLN . . . -80.31 -52.82 7.25 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.69 178.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -54.95 -55.34 31.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.664 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.2 m -127.69 11.38 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -169.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.443 ' HA3' ' CB ' ' A' ' 81' ' ' LYS . . . 75.29 -28.96 1.18 Allowed Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.8 -0.714 . . . . 0.0 114.051 175.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -70.18 139.07 52.28 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 120.979 0.418 . . . . 0.0 110.114 -177.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.732 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -83.55 153.43 64.99 Favored Pre-proline 0 C--N 1.316 -0.878 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 173.615 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.719 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 81.7 Cg_exo -45.67 -50.48 9.4 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 122.71 2.273 . . . . 0.0 112.809 -174.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.686 ' HG2' ' HB3' ' A' ' 2' ' ' ALA . 15.8 mm100 -60.07 -40.82 90.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.098 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -62.0 -30.46 70.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.261 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 14.5 tp -88.62 -26.49 21.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.407 -178.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.719 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 66.6 mt -64.0 115.6 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.947 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.31 -12.61 28.49 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.111 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.53 ' HE2' ' CZ ' ' A' ' 48' ' ' PHE . 29.5 mmmt -99.74 155.29 17.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.778 0.323 . . . . 0.0 110.679 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.596 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 29.1 t-20 -90.66 140.69 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 171.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.454 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 14.0 tt -59.4 -25.16 30.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.793 176.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.1 t -73.18 -27.66 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.055 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.596 ' HG3' ' HB3' ' A' ' 44' ' ' ASN . 37.7 mt-10 -61.47 -39.83 92.31 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.991 0.424 . . . . 0.0 110.542 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.53 ' CZ ' ' HE2' ' A' ' 43' ' ' LYS . 37.0 m-85 -102.13 17.05 24.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.082 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.431 ' SG ' HD11 ' A' ' 57' ' ' LEU . 44.2 t -90.5 132.95 35.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.233 172.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.604 ' HB3' ' CB ' ' A' ' 53' ' ' ASP . 26.0 t-80 -46.59 134.48 7.88 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.653 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -48.57 -53.08 7.39 Favored 'Trans proline' 0 N--CA 1.478 0.582 0 C-N-CA 122.817 2.345 . . . . 0.0 113.954 -172.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.563 ' HG2' ' HD1' ' A' ' 50' ' ' HIS . 7.7 pt-20 -70.16 -5.92 30.58 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.029 0.442 . . . . 0.0 111.611 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.64 ' OD2' ' HB2' ' A' ' 76' ' ' PHE . 29.8 t70 -110.36 -7.04 14.84 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.726 0.774 . . . . 0.0 109.546 -164.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -70.7 -37.0 73.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.961 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -37.04 85.71 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tt -60.09 -52.95 63.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.408 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' A' ' 57' ' ' LEU . 10.8 mt -59.19 -44.59 92.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.721 176.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.588 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 24.0 ttt180 -53.19 -56.74 14.03 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.48 0.487 . . . . 0.0 110.964 -177.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.632 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 30.6 t70 -62.34 -44.32 96.76 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.051 0.453 . . . . 0.0 110.943 -177.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.8 m -65.88 -33.4 75.76 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.165 -175.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.488 ' O ' HG22 ' A' ' 65' ' ' VAL . 12.4 m-85 -69.29 -39.12 78.52 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 174.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 15.2 mm100 -62.71 -39.58 94.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.444 177.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.632 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 82.9 mm-40 -57.35 -50.07 74.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.517 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.856 HG12 ' HG ' ' A' ' 92' ' ' SER . 10.7 p -72.58 -22.71 20.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 120.961 0.41 . . . . 0.0 110.877 -177.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.552 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 64.9 t -71.17 -34.56 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 173.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 29.5 mtpp -72.25 -36.68 69.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.948 173.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.776 HD12 HD13 ' A' ' 72' ' ' LEU . 50.5 mt -61.53 -58.76 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.32 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.574 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 96.3 mttt 55.51 93.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 O-C-N 124.02 0.825 . . . . 0.0 111.851 -177.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.99 -14.0 34.19 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.982 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.463 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 14.6 mm100 -104.52 137.45 42.37 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.911 0.355 . . . . 0.0 110.802 -178.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.476 ' HA ' ' O ' ' A' ' 92' ' ' SER . 68.2 t -77.81 126.5 38.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.074 177.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.776 HD13 HD12 ' A' ' 67' ' ' LEU . 13.7 tp -117.76 137.51 52.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.51 -176.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.9 p -99.77 121.52 41.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.874 0.369 . . . . 0.0 110.991 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.8 p -125.7 131.8 71.56 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 CA-C-O 121.753 0.787 . . . . 0.0 109.97 174.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.698 ' HE1' HG21 ' A' ' 113' ' ' VAL . 24.3 ttt -111.64 121.75 45.97 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 114.569 -1.196 . . . . 0.0 109.757 -174.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.64 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . 28.9 p90 -151.8 178.73 9.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.228 -170.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.491 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 40.9 mtm180 -111.33 114.92 28.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.943 0.401 . . . . 0.0 110.92 -176.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -96.81 137.26 36.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.655 -177.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.581 ' NH2' ' HG3' ' A' ' 83' ' ' GLN . 32.2 ttt180 -82.59 104.36 12.8 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.054 0.454 . . . . 0.0 110.618 176.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.5 t -64.5 174.72 1.61 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.331 175.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.443 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . 25.9 tptp -68.92 -5.89 24.08 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.842 0.857 . . . . 0.0 110.989 -177.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -98.5 8.05 45.38 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.581 ' HG3' ' NH2' ' A' ' 79' ' ' ARG . 2.5 mp0 65.27 29.57 11.61 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.404 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.56 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 13.7 pt-20 -112.21 155.41 24.03 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.193 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.463 ' CZ3' ' HB2' ' A' ' 79' ' ' ARG . 42.9 m95 -111.06 107.36 16.72 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -176.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 116' ' ' SER . 1.2 pp -110.94 158.49 18.7 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.293 -177.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -81.25 133.63 35.47 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 120.988 0.423 . . . . 0.0 110.297 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.479 ' HA ' HG23 ' A' ' 113' ' ' VAL . 10.0 ptp -142.68 143.42 32.31 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.285 170.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -106.74 111.18 23.59 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.601 ' HG1' ' ND2' ' A' ' 110' ' ' ASN . 91.4 m -99.56 136.95 38.73 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 114.695 -1.138 . . . . 0.0 111.333 -176.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.401 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 15.9 m -96.59 120.18 36.43 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.222 175.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.856 ' HG ' HG12 ' A' ' 64' ' ' VAL . 9.3 t -98.08 155.63 17.04 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.339 0.59 . . . . 0.0 110.224 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.514 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 80.3 t80 -154.15 134.62 13.46 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.464 176.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.65 ' HB ' HD13 ' A' ' 103' ' ' ILE . 2.7 p -103.03 106.47 17.0 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 120.481 -0.488 . . . . 0.0 109.816 177.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.514 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 7.4 t80 -70.42 109.22 4.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.93 -171.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 49.2 mt-30 -91.85 127.73 37.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.293 177.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.444 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 52.3 t-20 -64.0 117.43 35.94 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 173.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.86 -14.27 21.74 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 123.038 2.492 . . . . 0.0 113.487 -174.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -117.98 4.99 12.09 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.444 ' HB2' ' HB3' ' A' ' 97' ' ' ASN . 25.3 m -141.98 -14.99 0.8 Allowed 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -174.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.3 t70 71.57 -15.11 0.45 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.151 0.58 . . . . 0.0 112.132 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.47 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 17.8 pt-20 -63.47 157.44 23.39 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 123.014 0.526 . . . . 0.0 111.297 -177.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.65 HD13 ' HB ' ' A' ' 94' ' ' THR . 48.6 mm -93.51 112.24 26.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 174.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -64.39 -47.48 79.08 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.693 0.759 . . . . 0.0 109.066 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -176.38 176.5 1.63 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.062 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.457 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 57.0 mt -97.16 142.2 14.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 175.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 47.3 mt -114.13 111.77 37.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 91.5 m -111.07 116.98 32.07 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.353 0.597 . . . . 0.0 111.23 -177.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.452 ' O ' ' HA ' ' A' ' 90' ' ' THR . 8.0 m -93.19 109.53 21.04 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 173.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.601 ' ND2' ' HG1' ' A' ' 90' ' ' THR . 14.5 m120 -95.18 110.13 22.14 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -171.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.8 m -109.43 121.24 44.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.746 0.308 . . . . 0.0 110.858 -177.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.7 110.54 13.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.197 0.522 . . . . 0.0 110.217 -176.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.698 HG21 ' HE1' ' A' ' 75' ' ' MET . 0.6 OUTLIER -88.11 -174.97 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.929 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.133 175.647 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -74.83 165.79 24.67 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.51 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 68.97 171.46 0.3 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.49 173.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.493 ' HA ' ' HA ' ' A' ' 86' ' ' LEU . 19.0 m -148.33 -41.02 0.16 Allowed 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.181 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.6 m 64.42 67.82 0.56 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.558 0.694 . . . . 0.0 109.523 -173.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -62.55 -35.19 78.66 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.113 -176.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.669 -0.682 . . . . 0.0 109.23 -176.116 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 112.061 -0.415 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.659 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -98.33 -77.39 0.51 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.84 -0.212 . . . . 0.0 111.123 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.2 mmt 68.29 176.91 0.26 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.618 0.574 . . . . 0.0 112.037 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 57.42 27.08 13.37 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.421 -178.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.631 ' HB2' HG23 ' A' ' 30' ' ' VAL . 15.7 p30 -123.61 25.47 8.15 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.563 -175.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 m -81.35 110.05 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.185 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.3 t 59.22 70.3 0.66 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.791 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.551 ' HB3' ' HG2' ' A' ' 28' ' ' ARG . 15.7 mm100 -98.17 147.89 33.72 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.399 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.479 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 76.3 Cg_exo -52.39 158.43 5.58 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.002 2.468 . . . . 0.0 112.311 174.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -83.51 8.5 13.84 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.443 0.64 . . . . 0.0 111.648 -172.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.649 ' HG2' ' HA ' ' A' ' 111' ' ' THR . 45.9 mt-10 -119.12 134.67 55.06 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 175.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -126.06 133.27 51.75 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.6 mt -93.64 125.37 46.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.464 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.5 p -131.05 140.34 50.06 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.234 0.54 . . . . 0.0 111.091 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.407 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 49.3 mtt180 -111.13 123.44 50.21 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.45 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -146.53 153.03 39.92 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.042 -170.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -74.93 154.23 38.25 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.423 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 26.1 pt -53.34 -21.12 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 O-C-N 124.43 1.082 . . . . 0.0 113.714 -168.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -73.55 -9.1 58.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.356 0.598 . . . . 0.0 110.739 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.424 ' O ' ' HA ' ' A' ' 44' ' ' ASN . . . 100.78 4.49 54.5 Favored Glycine 0 N--CA 1.44 -1.092 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 -177.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.7 mm -78.87 114.82 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 O-C-N 123.564 0.214 . . . . 0.0 110.989 -174.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 96.6 m-85 -75.51 122.25 23.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.036 0.446 . . . . 0.0 111.106 -178.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.1 p -110.43 -29.58 8.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.835 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.407 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 83.4 t80 -135.59 117.64 15.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.048 176.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.0 t -123.57 130.37 74.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.813 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -74.72 148.52 40.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.154 0.502 . . . . 0.0 110.221 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -60.51 -15.31 25.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.579 -174.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.649 ' HD2' ' O ' ' A' ' 11' ' ' GLU . 56.8 mtm180 -64.82 -11.14 33.91 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.5 p -57.79 -34.43 69.6 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.818 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.631 HG23 ' HB2' ' A' ' 5' ' ' ASN . 4.0 m -66.94 -30.37 49.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.447 -177.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.99 -51.39 9.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 -177.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.509 HG22 ' HB2' ' A' ' 112' ' ' ASN . 7.4 m -65.33 -50.46 65.57 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.428 HG13 ' CD1' ' A' ' 78' ' ' PHE . 35.1 m -129.36 14.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -169.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.59 -26.89 0.89 Allowed Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.938 -0.648 . . . . 0.0 114.39 174.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -70.3 140.29 52.26 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.261 0.553 . . . . 0.0 110.022 -177.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.628 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 15.4 mm-40 -84.13 154.85 63.88 Favored Pre-proline 0 C--N 1.311 -1.105 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 176.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.659 ' HD2' ' HB1' ' A' ' 2' ' ' ALA . 76.5 Cg_exo -47.95 -50.23 12.24 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.35 2.033 . . . . 0.0 111.868 -176.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -54.91 -46.39 74.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.386 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.628 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 8.7 mm-40 -62.65 -29.77 70.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.689 -172.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.3 tp -89.34 -25.63 21.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.274 -174.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 85.0 mt -60.36 115.32 3.45 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.051 0.453 . . . . 0.0 111.345 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.12 -12.84 34.1 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.29 178.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.638 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 9.3 mmpt? -102.1 154.25 19.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.537 0.208 . . . . 0.0 110.48 -178.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.618 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 8.5 m120 -84.73 146.23 27.52 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.471 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 13.2 tt -61.33 -25.95 37.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.21 171.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.427 HG12 ' CB ' ' A' ' 44' ' ' ASN . 8.1 p -74.87 -15.7 16.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.21 -178.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.618 ' HG2' ' HB2' ' A' ' 44' ' ' ASN . 16.6 mm-40 -76.23 -29.42 57.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.145 0.497 . . . . 0.0 110.758 179.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -113.73 14.45 18.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.344 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.436 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 41.0 t -87.41 142.5 27.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.18 176.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.693 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 39.0 t-80 -49.85 127.03 19.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.02 173.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -49.33 -34.04 30.84 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 124.473 3.449 . . . . 0.0 114.59 -171.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -82.79 -9.86 59.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 111.355 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.3 m-20 -110.2 -13.04 14.41 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -170.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.436 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 78.8 mt-30 -59.9 -41.05 90.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.925 -176.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -77.32 -31.17 54.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.431 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 tt -68.51 -49.11 62.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 122.131 0.967 . . . . 0.0 108.497 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.677 ' HA ' HG22 ' A' ' 74' ' ' VAL . 0.3 OUTLIER -61.25 -43.86 98.19 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 113.672 -1.604 . . . . 0.0 110.268 175.425 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.564 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 80.0 ttt180 -56.41 -54.4 46.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.811 0.339 . . . . 0.0 110.805 178.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.3 -32.7 68.69 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.495 0.664 . . . . 0.0 111.103 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.9 m -77.06 -32.43 56.82 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.899 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.507 ' O ' HG12 ' A' ' 64' ' ' VAL . 4.7 m-30 -69.54 -32.44 71.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.277 0.56 . . . . 0.0 109.773 173.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.564 ' HG3' ' O ' ' A' ' 58' ' ' ARG . 33.6 mt-30 -64.24 -38.72 92.07 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 174.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -70.01 -32.09 70.07 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.432 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 61' ' ' PHE . 8.6 p -71.87 -25.82 24.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 119.314 -0.954 . . . . 0.0 110.088 177.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.446 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 62.7 t -74.14 -25.9 20.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 171.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 59.6 mtpt -80.53 -38.26 29.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.433 176.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.853 HD11 HD21 ' A' ' 72' ' ' LEU . 43.0 mt -95.78 30.45 2.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.798 -176.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 95.0 mttt -29.86 109.99 0.05 Allowed 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.06 -18.9 33.29 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.607 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.426 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 23.0 mt-30 -95.12 144.83 25.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.746 0.308 . . . . 0.0 110.694 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.2 p -77.02 116.82 20.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.396 0.617 . . . . 0.0 109.758 173.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.853 HD21 HD11 ' A' ' 67' ' ' LEU . 1.6 tm? -103.68 115.33 30.3 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -179.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.6 p -89.99 121.23 31.89 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.866 0.365 . . . . 0.0 110.911 -177.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.677 HG22 ' HA ' ' A' ' 57' ' ' LEU . 2.4 p -124.24 128.4 73.85 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 CA-C-O 121.729 0.776 . . . . 0.0 110.399 175.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 11.1 ttt -107.13 128.16 54.14 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.475 -1.238 . . . . 0.0 109.877 -176.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.401 ' HZ ' HD13 ' A' ' 45' ' ' ILE . 19.3 p90 -161.51 178.66 8.89 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.159 -175.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.693 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 81.9 mtp180 -108.35 123.12 48.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.848 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.504 ' O ' ' HA ' ' A' ' 85' ' ' TRP . 2.1 t80 -98.23 139.88 33.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.587 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.577 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 36.9 ttp180 -82.02 109.16 16.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.168 0.509 . . . . 0.0 111.092 178.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.5 p -65.97 175.61 1.96 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.343 172.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -72.63 -8.65 56.34 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 -175.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -102.04 10.13 39.82 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.418 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 2.0 mp0 67.03 40.84 2.81 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 114.69 -1.141 . . . . 0.0 112.333 174.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.577 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 36.9 mm-40 -115.94 159.98 20.85 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.582 170.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.553 ' CZ3' ' HB2' ' A' ' 79' ' ' ARG . 11.5 m95 -115.43 92.12 3.82 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -173.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.638 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -83.85 163.32 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.619 -178.068 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.4 ' HB2' ' HG3' ' A' ' 114' ' ' LYS . 90.1 m95 -90.32 121.67 32.54 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.908 -175.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 13.1 ptp -135.04 148.82 50.01 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.605 176.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -111.62 112.58 24.39 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 173.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.421 ' CG2' ' HB2' ' A' ' 108' ' ' CYS . 96.5 m -93.54 131.59 38.65 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.834 -176.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.4 m -90.17 110.09 21.13 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.088 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.605 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 9.7 m -92.68 128.16 38.44 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.415 -174.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 67.0 t80 -131.01 135.22 47.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.443 173.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.682 ' HB ' HD13 ' A' ' 103' ' ' ILE . 4.1 p -104.34 112.25 25.21 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.956 0.408 . . . . 0.0 110.209 175.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.436 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 5.1 t80 -81.72 103.07 11.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.23 0.538 . . . . 0.0 111.166 -173.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.613 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 51.7 mt-30 -75.02 115.67 14.9 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.863 173.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.422 ' HA ' ' HD2' ' A' ' 98' ' ' PRO . 27.2 t-20 -59.46 120.99 53.45 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.919 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.439 ' HG2' ' CE1' ' A' ' 99' ' ' TYR . 6.1 Cg_endo -50.77 -26.14 16.92 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 123.772 2.982 . . . . 0.0 113.737 -174.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.439 ' CE1' ' HG2' ' A' ' 98' ' ' PRO . 17.0 m-85 -106.42 8.25 31.49 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 -173.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 41.6 m -147.11 -18.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -176.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 63.46 7.88 3.24 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.406 0.682 . . . . 0.0 112.368 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.613 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 8.2 pt-20 -89.15 169.56 11.37 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 176.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.682 HD13 ' HB ' ' A' ' 94' ' ' THR . 48.9 mm -94.94 104.61 15.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 176.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -68.29 -36.3 79.15 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.211 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -174.76 176.37 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.059 176.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.45 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 64.5 mt -99.22 141.6 16.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.829 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 71.2 mt -114.59 107.49 23.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 177.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.421 ' HB2' ' CG2' ' A' ' 90' ' ' THR . 13.9 p -118.64 119.54 34.79 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.381 0.61 . . . . 0.0 112.029 -172.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.0 m -89.87 134.91 33.94 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 171.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -118.15 111.62 19.09 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -171.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.649 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 58.5 m -107.41 110.42 22.38 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.084 -175.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.509 ' HB2' HG22 ' A' ' 32' ' ' THR . 2.4 t-20 -81.3 109.91 16.25 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.01 -178.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 38.7 t -82.81 -95.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.065 -175.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.4 ' HG3' ' HB2' ' A' ' 87' ' ' TRP . 7.2 ptpp? -94.8 176.42 6.27 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 172.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 33.1 p30 -115.24 167.71 10.6 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.051 -174.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.547 ' HB2' ' O ' ' A' ' 85' ' ' TRP . 30.3 t -71.16 94.69 1.17 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.353 -0.839 . . . . 0.0 108.826 176.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.1 m -77.28 59.12 1.74 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.711 0.767 . . . . 0.0 110.104 -177.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -120.83 36.26 4.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.283 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 C--O 1.246 0.913 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.001 177.468 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.791 -0.523 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.11 68.05 0.88 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.134 0.492 . . . . 0.0 111.459 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.798 ' HA ' ' HE3' ' A' ' 3' ' ' MET . 22.3 mmt -77.47 168.11 20.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.717 178.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -81.78 -45.27 15.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.219 -177.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.465 ' O ' ' HB ' ' A' ' 6' ' ' VAL . 85.9 m-20 54.01 47.69 22.8 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 -175.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.526 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 95.4 t 76.92 143.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.269 -178.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -58.78 105.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.186 0.517 . . . . 0.0 111.14 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.707 ' HB3' ' HA ' ' A' ' 28' ' ' ARG . 74.5 mm-40 -104.3 144.66 29.15 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.176 -176.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 8' ' ' GLN . 14.1 Cg_exo -71.66 165.94 30.97 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.896 3.064 . . . . 0.0 112.011 172.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.527 HG21 ' HA ' ' A' ' 32' ' ' THR . 1.1 p -86.23 29.41 0.75 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.428 0.632 . . . . 0.0 111.929 -179.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -131.49 134.16 45.86 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 171.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.605 ' HB3' ' HB2' ' A' ' 28' ' ' ARG . 47.3 p90 -144.96 147.63 32.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.835 0.35 . . . . 0.0 110.996 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.6 mt -93.95 128.7 45.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.2 p -126.95 136.36 52.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.317 0.58 . . . . 0.0 110.866 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.493 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 69.9 mtt180 -111.1 126.55 54.95 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 176.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.511 ' HB3' ' HA ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -150.36 152.11 33.89 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.29 -172.72 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -73.01 155.4 39.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.467 ' HA ' HG13 ' A' ' 106' ' ' ILE . 37.3 pt -49.79 -27.36 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -167.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.01 -15.92 63.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.867 0.365 . . . . 0.0 111.198 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.59 4.4 32.27 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.89 -175.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.9 mm -83.0 115.48 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 121.957 0.103 . . . . 0.0 111.027 -172.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.587 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 97.8 m-85 -71.31 129.45 38.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.905 0.383 . . . . 0.0 111.753 -175.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.8 p -112.44 -24.58 9.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.742 176.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.493 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 87.2 t80 -144.16 127.4 16.7 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.58 176.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.402 HG21 HD23 ' A' ' 40' ' ' LEU . 87.3 t -131.11 135.73 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.809 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.569 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 13.3 t70 -81.41 149.68 28.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.281 0.563 . . . . 0.0 110.774 176.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.1 m80 -52.06 -23.98 6.1 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 114.816 -1.084 . . . . 0.0 113.322 -174.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.707 ' HA ' ' HB3' ' A' ' 8' ' ' GLN . 87.8 mtt180 -63.33 -9.04 10.2 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.786 0.327 . . . . 0.0 111.692 -178.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.434 ' HG ' ' HB2' ' A' ' 35' ' ' TYR . 39.7 t -60.32 -36.53 78.14 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.499 177.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.724 HG11 ' HA ' ' A' ' 36' ' ' GLN . 5.2 m -65.56 -34.51 70.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.244 -175.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.11 -50.85 10.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.996 0.427 . . . . 0.0 110.379 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.527 ' HA ' HG21 ' A' ' 10' ' ' THR . 5.7 m -56.04 -55.1 37.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.619 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.515 HG13 ' CD1' ' A' ' 78' ' ' PHE . 22.2 m -135.16 16.95 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -170.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.424 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 78.08 -28.09 1.97 Allowed Glycine 0 CA--C 1.517 0.194 0 C-N-CA 120.677 -0.773 . . . . 0.0 114.48 173.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.434 ' HB2' ' HG ' ' A' ' 29' ' ' CYS . 54.8 m-85 -70.57 133.64 46.92 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 117.478 0.639 . . . . 0.0 110.192 -177.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.724 ' HA ' HG11 ' A' ' 30' ' ' VAL . 57.7 mm-40 -78.53 147.79 72.3 Favored Pre-proline 0 C--N 1.308 -1.211 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 175.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.647 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 76.2 Cg_exo -41.38 -51.33 4.16 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.564 2.176 . . . . 0.0 112.42 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -63.06 -39.32 94.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.999 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -64.78 -26.58 68.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.296 -175.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.425 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 18.0 tp -91.0 -24.24 20.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.546 -177.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 56.3 mt -61.97 124.71 21.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.706 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.64 -15.81 55.41 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.725 175.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -112.84 161.64 16.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.849 0.357 . . . . 0.0 110.808 -176.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -90.8 140.84 29.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.568 -172.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.587 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 13.8 tt -61.8 -28.37 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.52 173.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.4 t -70.74 -29.86 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.375 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.57 -24.63 65.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.092 0.473 . . . . 0.0 110.57 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -114.3 20.32 15.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.053 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.541 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 53.7 t -96.42 145.49 25.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.017 175.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.564 ' HA ' ' CE3' ' A' ' 85' ' ' TRP . 18.4 t-80 -44.06 126.91 4.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.66 173.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.38 -18.52 25.07 Favored 'Trans proline' 0 N--CA 1.477 0.52 0 C-N-CA 123.07 2.513 . . . . 0.0 113.45 -173.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -97.24 -6.52 34.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.29 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -116.45 -0.26 12.56 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -172.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.541 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 77.6 mt-30 -69.68 -32.05 70.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.911 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.03 -44.33 80.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.101 171.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.3 -45.99 79.99 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.224 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.445 HD22 HG21 ' A' ' 74' ' ' VAL . 12.4 mt -61.52 -45.58 93.61 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.696 174.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.501 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 41.7 ttt180 -53.11 -54.88 29.16 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.446 0.466 . . . . 0.0 110.484 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.609 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 13.6 t70 -56.13 -48.96 75.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.507 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.4 m -68.05 -33.43 74.55 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.146 -172.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.552 ' O ' HG21 ' A' ' 65' ' ' VAL . 15.4 m-30 -69.62 -35.97 75.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.001 0.429 . . . . 0.0 109.843 175.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 15.9 mm100 -66.07 -39.06 89.77 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 84.0 mm-40 -61.87 -48.16 81.77 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.237 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.06 -24.49 26.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.523 -176.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.552 HG21 ' O ' ' A' ' 61' ' ' PHE . 93.2 t -73.73 -23.84 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.407 0.622 . . . . 0.0 109.771 174.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -88.0 -36.05 17.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.35 0.595 . . . . 0.0 110.252 174.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.482 HD12 HD22 ' A' ' 72' ' ' LEU . 66.6 mt -89.76 29.4 1.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.086 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.567 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 99.3 mttt -34.51 108.62 0.07 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.356 0.662 . . . . 0.0 112.624 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.05 -18.34 26.23 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.823 -0.626 . . . . 0.0 113.179 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.444 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 32.3 mm-40 -95.17 142.19 27.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.0 t -77.67 114.72 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.173 175.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.482 HD22 HD12 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -112.21 113.77 26.19 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -178.32 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.802 ' HB2' ' HE ' ' A' ' 89' ' ' ARG . 32.5 p -91.26 121.95 33.46 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.062 0.458 . . . . 0.0 110.819 -176.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.445 HG21 HD22 ' A' ' 57' ' ' LEU . 4.0 p -116.65 131.12 70.2 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.883 0 CA-C-O 121.678 0.751 . . . . 0.0 110.113 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 20.1 ttt -114.86 124.96 53.07 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.838 -1.074 . . . . 0.0 109.726 -175.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -152.94 178.52 9.59 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.955 -172.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.544 ' HB3' ' HB3' ' A' ' 85' ' ' TRP . 10.8 mtm180 -106.56 107.16 18.03 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.019 0.437 . . . . 0.0 110.559 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.515 ' CD1' HG13 ' A' ' 33' ' ' VAL . 2.9 t80 -83.18 134.49 34.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.246 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.52 ' HG2' ' HA ' ' A' ' 83' ' ' GLN . 24.5 ttp180 -81.76 102.48 10.8 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.709 0.29 . . . . 0.0 110.842 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.467 ' HB3' ' HG2' ' A' ' 84' ' ' GLU . 47.8 t -58.55 173.54 0.39 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.97 172.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.424 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 18.9 tptm -70.99 -8.39 52.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.519 -173.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -99.12 9.16 44.04 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.52 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 2.2 mp0 64.31 44.42 4.31 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.849 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.467 ' HG2' ' HB3' ' A' ' 80' ' ' SER . 10.9 pt-20 -117.45 147.32 42.82 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.462 175.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.564 ' CE3' ' HA ' ' A' ' 50' ' ' HIS . 6.4 m95 -106.06 101.42 10.91 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 -172.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.524 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -104.11 157.28 17.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.742 0.306 . . . . 0.0 111.405 -176.397 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.49 ' HB2' ' HB2' ' A' ' 114' ' ' LYS . 72.6 m95 -78.47 110.68 13.77 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.233 0.54 . . . . 0.0 111.939 -173.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.564 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 2.3 tpp -121.57 130.84 53.78 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.122 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.802 ' HE ' ' HB2' ' A' ' 73' ' ' SER . 58.8 ttt180 -107.4 108.78 20.29 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 175.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.451 ' CG2' ' HB3' ' A' ' 108' ' ' CYS . 94.3 m -96.55 132.93 41.64 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.737 -177.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.515 ' OG ' ' HB ' ' A' ' 109' ' ' THR . 35.9 p -90.28 119.85 30.94 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 175.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.6 m -96.85 124.47 40.83 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.586 -175.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.668 ' HE2' ' HD1' ' A' ' 95' ' ' PHE . 61.7 t80 -127.25 135.02 50.03 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 171.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.635 ' HB ' HD12 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -93.19 111.29 22.89 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 109.722 -0.474 . . . . 0.0 109.722 174.725 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.668 ' HD1' ' HE2' ' A' ' 93' ' ' PHE . 9.8 t80 -72.86 95.26 1.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.178 0.513 . . . . 0.0 110.546 -174.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 53.5 mt-30 -82.76 128.93 34.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.655 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -59.61 120.52 49.77 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.327 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.0 -8.49 6.21 Favored 'Trans proline' 0 N--CA 1.474 0.38 0 C-N-CA 123.407 2.738 . . . . 0.0 113.765 -173.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -100.97 -37.23 8.72 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -177.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.9 t -144.41 22.02 1.68 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 119.932 -0.707 . . . . 0.0 112.743 -172.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.48 8.64 3.67 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 172.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 32.5 mt-10 -65.07 148.13 52.22 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 118.173 0.442 . . . . 0.0 110.527 -178.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.635 HD12 ' HB ' ' A' ' 94' ' ' THR . 49.4 mm -91.01 100.99 12.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.943 178.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -58.45 -47.52 83.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.694 176.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.494 ' HE1' HD11 ' A' ' 107' ' ' ILE . 1.4 p90 179.97 -172.13 0.19 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 113.84 -1.527 . . . . 0.0 109.378 -178.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.467 HG13 ' HA ' ' A' ' 18' ' ' ILE . 45.3 mt -100.65 140.19 20.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.52 ' HB ' ' HD2' ' A' ' 93' ' ' PHE . 21.2 mm -110.38 111.48 36.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 178.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 91' ' ' SER . 57.0 m -121.75 121.93 38.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.3 0.571 . . . . 0.0 112.278 -172.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.515 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 30.5 m -93.48 121.19 34.63 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 169.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.564 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 4.0 m-20 -104.11 110.56 22.79 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -172.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.5 m -116.86 113.53 22.61 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.964 -177.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 88' ' ' MET . 4.7 t-20 -83.14 128.94 34.93 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.462 ' HB ' ' H ' ' A' ' 114' ' ' LYS . 18.4 t -105.58 -83.29 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.218 0.532 . . . . 0.0 109.68 -178.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.49 ' HB2' ' HB2' ' A' ' 87' ' ' TRP . 58.2 mtpt -86.98 173.84 9.07 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.67 176.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.85 21.41 13.35 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -177.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.479 ' HA ' ' CD1' ' A' ' 87' ' ' TRP . 23.0 t 71.22 162.99 0.26 Allowed 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.805 -176.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.1 p -76.03 66.34 2.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.206 0.527 . . . . 0.0 109.948 175.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -61.88 -28.61 69.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.915 -177.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 C--O 1.25 1.088 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.597 174.587 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.892 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.85 -68.9 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.541 ' HA ' HE22 ' A' ' 36' ' ' GLN . 43.5 ttp 59.88 45.18 12.74 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.769 0.795 . . . . 0.0 110.103 178.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -149.91 -85.01 0.09 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.284 177.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 27' ' ' HIS . 93.8 m-20 50.69 34.63 10.21 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.399 0.437 . . . . 0.0 111.373 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.602 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 67.7 t 72.16 140.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 O-C-N 123.632 0.583 . . . . 0.0 110.254 -174.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -57.72 114.63 2.37 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.907 0.384 . . . . 0.0 110.617 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.872 ' HB3' ' HG2' ' A' ' 28' ' ' ARG . 80.9 mm-40 -110.63 156.25 40.85 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.93 -172.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.44 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 33.5 Cg_exo -64.09 165.12 20.16 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 123.409 2.739 . . . . 0.0 112.099 169.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m -88.14 25.72 1.54 Allowed 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.437 0.637 . . . . 0.0 111.389 -175.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.498 ' HG2' ' HA ' ' A' ' 111' ' ' THR . 47.5 mt-10 -128.67 135.16 48.89 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 171.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -137.49 144.51 42.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.079 0.466 . . . . 0.0 111.039 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -102.9 127.66 56.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.043 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.8 m -131.87 131.75 43.04 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.59 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.0 mtm-85 -101.11 121.17 41.34 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.479 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -135.65 149.79 49.41 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.673 -173.551 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -73.34 156.88 37.94 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.8 pt -53.01 -21.03 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -168.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.465 ' HB2' HG12 ' A' ' 21' ' ' ILE . 40.1 mt-10 -70.35 -18.87 63.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.137 0.494 . . . . 0.0 110.509 176.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.33 3.82 33.08 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.48 -173.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.465 HG12 ' HB2' ' A' ' 19' ' ' GLU . 39.2 mm -84.42 120.07 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 122.169 0.188 . . . . 0.0 111.12 -171.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -73.29 130.14 39.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.701 0.286 . . . . 0.0 110.915 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.5 t -120.98 -16.94 7.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.01 0.434 . . . . 0.0 110.523 177.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -149.69 124.54 9.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.407 . . . . 0.0 109.961 172.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.568 ' HB ' ' HA ' ' A' ' 37' ' ' PRO . 78.1 t -128.68 139.07 52.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.459 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -82.68 148.64 27.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.408 0.623 . . . . 0.0 110.943 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 5' ' ' ASN . 50.3 m80 -59.11 -18.94 40.07 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 114.947 -1.024 . . . . 0.0 113.231 -172.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.872 ' HG2' ' HB3' ' A' ' 8' ' ' GLN . 84.9 mtm180 -64.25 -8.47 12.79 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 111.726 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.1 t -59.57 -34.44 72.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.89 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.9 m -66.51 -36.39 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.069 -175.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.6 -46.8 18.48 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.843 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.7 m -59.69 -49.5 77.5 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.589 HG13 ' CD1' ' A' ' 78' ' ' PHE . 16.6 m -129.53 -21.72 1.42 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.185 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -172.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.98 -21.69 26.87 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 119.486 -1.34 . . . . 0.0 113.041 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.451 ' H ' HG22 ' A' ' 33' ' ' VAL . 17.1 m-85 -72.03 150.47 43.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.134 0.492 . . . . 0.0 110.38 178.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.541 HE22 ' HA ' ' A' ' 3' ' ' MET . 30.5 mm-40 -98.59 153.92 37.73 Favored Pre-proline 0 C--N 1.31 -1.115 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 176.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.629 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 88.0 Cg_exo -43.2 -49.56 7.17 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.065 1.843 . . . . 0.0 111.451 175.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -54.37 -41.01 68.69 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.747 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -64.08 -31.65 72.91 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.06 -171.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.0 mt -89.36 -22.71 22.47 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.661 -177.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 52.7 mt -61.98 106.28 0.69 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.159 0.504 . . . . 0.0 111.195 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.54 -8.42 40.46 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.344 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -112.42 150.8 30.64 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 121.056 0.455 . . . . 0.0 110.01 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.495 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 17.2 t-20 -87.51 145.81 26.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.924 -176.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.6 tt -62.34 -28.27 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.388 175.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.0 p -72.09 -22.09 20.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-O 120.882 0.373 . . . . 0.0 110.455 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.495 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 5.1 mm-40 -64.98 -39.61 93.73 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.351 0.596 . . . . 0.0 109.793 177.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.476 ' HB3' ' HB3' ' A' ' 79' ' ' ARG . 40.0 m-85 -105.12 20.77 18.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.996 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.474 ' SG ' HD11 ' A' ' 57' ' ' LEU . 36.1 t -97.8 129.59 44.78 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.985 174.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -48.5 125.77 12.51 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.95 177.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -48.93 -25.15 8.22 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 124.154 3.236 . . . . 0.0 114.474 -173.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -87.89 -10.17 51.5 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.371 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -112.36 -3.47 14.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.96 0.41 . . . . 0.0 110.049 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -59.77 -45.3 92.7 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.19 -175.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -69.32 -36.14 76.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.299 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.84 -41.66 87.45 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.223 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.474 HD11 ' SG ' ' A' ' 49' ' ' CYS . 12.8 mt -65.07 -47.14 78.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.522 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 66.8 mtt180 -58.11 -52.94 63.44 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 120.847 0.356 . . . . 0.0 110.629 -178.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -54.53 -44.35 72.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.099 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.7 m -76.23 -33.62 59.21 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.352 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.493 ' O ' HG12 ' A' ' 64' ' ' VAL . 10.9 m-30 -69.3 -32.55 71.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.06 0.457 . . . . 0.0 109.94 176.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 15.7 mm100 -65.18 -37.34 87.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.403 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 75.3 mt-30 -73.95 -28.84 61.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.447 -178.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 61' ' ' PHE . 9.0 p -72.87 -26.04 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.381 175.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.475 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 58.4 t -75.68 -28.69 19.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 171.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 63' ' ' GLN . 62.9 mtpt -78.49 -23.99 46.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.904 176.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.856 ' HB3' ' HB2' ' A' ' 70' ' ' GLN . 32.3 mt -85.28 -51.61 6.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.509 176.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.756 ' HG2' HD11 ' A' ' 103' ' ' ILE . 98.4 mttt 62.28 95.24 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.523 0.678 . . . . 0.0 112.145 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.85 -11.12 70.05 Favored Glycine 0 C--N 1.317 -0.522 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.365 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.856 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 2.6 mp0 -94.16 137.89 32.82 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.0 p -76.58 121.08 27.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.399 0.619 . . . . 0.0 110.393 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.528 HD21 ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -108.84 114.79 28.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.115 -179.437 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.1 m -91.79 120.93 32.96 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.076 0.465 . . . . 0.0 110.108 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.93 137.33 55.1 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 CA-C-O 121.67 0.747 . . . . 0.0 109.684 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 26.0 ttt -117.39 130.29 56.4 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.108 -172.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.454 ' CD1' HD22 ' A' ' 57' ' ' LEU . 15.5 p90 -152.95 179.28 8.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.602 -173.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.568 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 23.6 mtp180 -103.8 106.43 16.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.058 0.456 . . . . 0.0 110.305 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.589 ' CD1' HG13 ' A' ' 33' ' ' VAL . 24.0 t80 -86.09 140.57 30.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.408 -177.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 5.1 ttm180 -78.72 114.94 18.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.179 0.514 . . . . 0.0 111.384 -177.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 t -64.61 168.55 5.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.635 172.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -65.29 -17.87 64.85 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 121.34 0.591 . . . . 0.0 109.931 176.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -86.42 -1.97 58.03 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.572 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 28.8 mm-40 67.82 23.88 8.35 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 113.508 -1.678 . . . . 0.0 111.275 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.582 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 32.7 mm-40 -82.55 172.57 12.84 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 166.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -128.53 95.12 4.04 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -174.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.568 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -96.43 157.98 15.65 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -170.005 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.471 ' HB2' ' H ' ' A' ' 115' ' ' ASN . 82.3 m95 -75.65 105.38 6.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.217 -0.902 . . . . 0.0 111.885 -177.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.557 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 4.0 tpp -121.85 133.97 54.88 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.718 177.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -109.49 109.18 19.92 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 174.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' A' ' 108' ' ' CYS . 89.1 m -93.93 131.16 39.65 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.98 -174.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.7 m -88.92 112.53 23.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.165 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 4.2 m -90.25 129.21 36.52 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.617 -175.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.571 ' HE1' ' HD1' ' A' ' 95' ' ' PHE . 36.6 t80 -129.36 135.18 48.39 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 172.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.514 ' HB ' HD12 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -102.76 111.96 24.52 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.007 0.432 . . . . 0.0 110.517 176.858 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.571 ' HD1' ' HE1' ' A' ' 93' ' ' PHE . 27.0 t80 -79.03 116.73 19.51 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.561 -173.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 64.4 mt-30 -99.13 147.76 24.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.717 -177.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.44 ' HB2' ' OE2' ' A' ' 104' ' ' GLU . 25.0 t30 -85.05 111.29 34.83 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 169.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.2 1.97 2.13 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 123.191 2.594 . . . . 0.0 113.466 -172.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -108.37 3.88 23.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.333 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.0 t -157.95 -0.29 0.1 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.921 -176.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 49.07 27.28 1.66 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.281 0.632 . . . . 0.0 112.381 -176.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.491 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 10.7 pt-20 -91.92 159.75 15.61 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.308 177.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.756 HD11 ' HG2' ' A' ' 68' ' ' LYS . 67.1 mt -102.73 123.48 56.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.265 0.555 . . . . 0.0 110.012 177.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.44 ' OE2' ' HB2' ' A' ' 97' ' ' ASN . 2.1 mt-10 -84.67 -41.28 16.45 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.931 -174.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -171.85 178.38 3.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.326 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.479 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 43.7 mt -105.18 143.26 16.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.64 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.3 mt -118.16 110.09 29.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.456 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 66.5 m -112.53 115.42 28.62 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.089 0.471 . . . . 0.0 112.246 -174.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.6 m -84.97 134.12 34.25 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 168.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.557 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 38.1 m-80 -115.32 111.36 20.76 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -171.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.498 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 37.6 m -108.3 107.83 18.59 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.352 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -79.36 117.29 20.2 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 31.8 t -92.73 -96.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.958 -172.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -65.97 -50.81 63.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.488 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.471 ' H ' ' HB2' ' A' ' 87' ' ' TRP . 46.7 t-20 69.52 140.28 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 O-C-N 124.068 0.855 . . . . 0.0 109.403 -172.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.6 m -77.52 69.54 3.79 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.339 0.59 . . . . 0.0 109.748 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.3 p -61.84 115.79 4.31 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.339 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 119' ' ' GLU . 82.8 mt-30 -80.34 85.16 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 174.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 118' ' ' GLN . 45.1 mt-10 . . . . . 0 C--O 1.247 0.949 0 O-C-N 124.438 1.086 . . . . 0.0 110.077 -173.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.846 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.24 58.41 5.56 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 122.722 0.409 . . . . 0.0 111.342 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.438 ' HA ' HE22 ' A' ' 36' ' ' GLN . 50.2 ttm 172.74 106.92 0.01 OUTLIER 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.941 -175.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.35 -43.94 0.56 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.244 0.617 . . . . 0.0 111.699 -178.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.58 ' O ' HG13 ' A' ' 6' ' ' VAL . 48.3 m-20 56.34 65.09 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 122.846 0.459 . . . . 0.0 110.65 174.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 5' ' ' ASN . 0.3 OUTLIER 69.84 7.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.93 1.292 . . . . 0.0 111.306 -179.104 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.0 t 72.33 121.77 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.009 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.535 ' HB3' ' HG2' ' A' ' 28' ' ' ARG . 86.2 mm-40 -119.24 162.64 30.86 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.02 -175.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 32.5 Cg_exo -58.84 160.3 18.45 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 123.109 2.539 . . . . 0.0 112.308 171.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.6 p -88.64 28.76 1.08 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.041 0.448 . . . . 0.0 111.892 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -137.22 134.32 36.11 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 172.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -136.53 147.5 47.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.074 0.464 . . . . 0.0 110.544 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.5 mt -107.22 130.13 59.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.3 m -136.15 149.89 48.82 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.109 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.588 ' HG2' HG12 ' A' ' 107' ' ' ILE . 99.3 mtt180 -110.48 130.71 55.5 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 176.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.5 ' HB3' ' HA ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -149.23 152.78 36.58 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.833 -172.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -76.56 157.0 32.38 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.498 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 32.2 pt -50.08 -30.24 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -165.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -81.21 2.6 27.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.335 0.588 . . . . 0.0 110.67 -177.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.91 5.4 50.56 Favored Glycine 0 N--CA 1.439 -1.13 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.821 175.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.9 mm -78.4 108.62 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 116.71 0.255 . . . . 0.0 110.896 -175.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.51 ' CE1' ' HB ' ' A' ' 45' ' ' ILE . 95.4 m-85 -71.48 122.96 21.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.814 0.34 . . . . 0.0 111.41 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 p -105.51 -27.51 11.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.723 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -140.0 117.84 11.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.236 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.69 HG22 ' HB3' ' A' ' 40' ' ' LEU . 94.7 t -124.14 135.45 63.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.701 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.427 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 13.1 t70 -81.76 149.45 28.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.53 0.681 . . . . 0.0 110.559 175.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.413 ' O ' HG21 ' A' ' 30' ' ' VAL . 18.8 m80 -58.79 -20.48 50.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.724 -1.125 . . . . 0.0 112.295 -173.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.535 ' HG2' ' HB3' ' A' ' 8' ' ' GLN . 91.1 mtt180 -66.31 -6.6 14.61 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.09 0.471 . . . . 0.0 111.18 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.445 ' SG ' HD22 ' A' ' 40' ' ' LEU . 44.8 t -60.24 -35.72 76.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.149 176.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.735 HG12 ' HA ' ' A' ' 36' ' ' GLN . 12.4 m -65.97 -33.29 62.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.547 -175.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.56 -51.4 9.35 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.901 0.381 . . . . 0.0 110.411 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 m -56.43 -55.76 29.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.839 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.0 m -133.86 20.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -168.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.0 -37.26 1.93 Allowed Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.36 -0.924 . . . . 0.0 114.416 174.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -70.55 137.16 49.88 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 121.421 0.629 . . . . 0.0 111.037 -173.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.735 ' HA ' HG12 ' A' ' 30' ' ' VAL . 50.2 mm-40 -75.99 154.24 84.78 Favored Pre-proline 0 C--N 1.31 -1.144 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 176.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.692 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 4.2 Cg_exo -44.37 -51.23 7.13 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 121.869 1.713 . . . . 0.0 110.978 175.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -59.77 -44.8 93.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.723 178.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -56.76 -33.87 67.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.762 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.69 ' HB3' HG22 ' A' ' 25' ' ' VAL . 13.9 tp -87.9 -25.62 23.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.735 -175.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 81.7 mt -59.45 117.77 5.24 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.465 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.74 -9.06 64.02 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.255 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -104.32 148.18 26.67 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.598 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 8.3 m120 -81.81 142.68 32.35 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.323 176.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.51 ' HB ' ' CE1' ' A' ' 22' ' ' PHE . 12.0 tt -62.47 -26.54 40.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.944 171.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.575 HG11 ' HB3' ' A' ' 44' ' ' ASN . 9.9 p -75.59 -23.8 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.659 178.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.598 ' HG2' ' HB2' ' A' ' 44' ' ' ASN . 62.6 mm-40 -71.5 -19.46 62.19 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.443 0.64 . . . . 0.0 110.179 178.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -120.61 33.93 5.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.553 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 48.9 t -108.81 143.76 37.55 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.496 176.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.637 ' NE2' ' HB2' ' A' ' 52' ' ' GLU . 49.5 t60 -49.14 117.71 6.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 167.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.422 ' HA ' ' CD ' ' A' ' 54' ' ' GLN . 86.6 Cg_exo -48.47 -32.96 21.91 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 124.126 3.217 . . . . 0.0 114.7 -171.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.637 ' HB2' ' NE2' ' A' ' 50' ' ' HIS . 32.5 mt-10 -81.98 -4.95 57.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.765 0.316 . . . . 0.0 111.261 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.451 ' CG ' ' HD2' ' A' ' 50' ' ' HIS . 84.4 m-20 -111.8 -1.23 15.66 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 176.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.422 ' CD ' ' HA ' ' A' ' 51' ' ' PRO . 66.8 mt-30 -68.65 -33.54 74.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.394 -178.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -72.17 -33.33 67.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.198 171.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.452 HD21 HG22 ' A' ' 74' ' ' VAL . 1.0 OUTLIER -59.58 -51.03 71.58 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.396 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.23 -49.43 77.64 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.678 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.635 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 61.2 ttt180 -50.0 -56.65 9.86 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.702 0.626 . . . . 0.0 110.39 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.28 -49.02 79.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.504 -177.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.5 m -71.07 -27.83 63.91 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.321 -171.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.4 ' O ' HG21 ' A' ' 65' ' ' VAL . 4.9 m-30 -69.3 -33.5 73.27 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 175.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.635 ' HG3' ' O ' ' A' ' 58' ' ' ARG . 28.6 mt-30 -61.29 -44.29 97.47 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.41 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 2.9 mp0 -57.5 -45.45 84.91 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.518 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 p -69.34 -29.66 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 119.901 -0.719 . . . . 0.0 111.215 -177.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.57 ' HA ' HG21 ' A' ' 94' ' ' THR . 89.3 t -74.21 -22.89 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.321 0.582 . . . . 0.0 110.121 176.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -91.9 -24.56 19.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.336 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.549 HD13 HD23 ' A' ' 72' ' ' LEU . 26.8 mt -77.77 -41.95 35.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.466 174.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.79 ' HG2' HD11 ' A' ' 103' ' ' ILE . 94.3 mttt 57.69 97.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.985 0.803 . . . . 0.0 113.048 174.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.56 2.97 72.18 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.186 176.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.468 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 26.1 mm-40 -110.91 142.02 43.55 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 92' ' ' SER . 7.2 p -77.59 124.1 35.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.33 0.586 . . . . 0.0 110.85 -178.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.549 HD23 HD13 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -114.24 113.76 25.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.48 -0.782 . . . . 0.0 108.978 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.426 ' HB3' ' HD2' ' A' ' 89' ' ' ARG . 47.4 m -94.16 121.16 35.37 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.593 -176.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.452 HG22 HD21 ' A' ' 56' ' ' LEU . 4.3 p -121.82 130.97 74.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.693 0.758 . . . . 0.0 110.247 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 21.1 ttt -115.25 126.08 54.1 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.377 -172.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -154.84 179.21 9.32 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.074 -172.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.579 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 44.1 mtt180 -98.83 109.9 22.59 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 177.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 85' ' ' TRP . 8.1 t80 -85.94 129.36 34.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.694 -176.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -84.14 97.91 9.61 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.062 0.458 . . . . 0.0 110.62 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.0 t -61.71 174.13 0.86 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.695 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.412 ' HD2' ' HA ' ' A' ' 81' ' ' LYS . 45.2 tptt -61.62 -15.02 35.7 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.154 0.502 . . . . 0.0 111.131 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -95.83 2.81 53.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.695 -177.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 67.63 31.36 6.11 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.242 -175.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -101.09 132.26 46.62 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.896 176.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.449 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 17.4 m0 -108.11 81.56 1.51 Allowed 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.632 -0.427 . . . . 0.0 109.934 -171.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.579 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.0 OUTLIER -88.06 171.27 10.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.944 -173.078 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -84.48 106.43 16.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.463 0.649 . . . . 0.0 111.118 -176.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.467 ' HE2' ' HB2' ' A' ' 88' ' ' MET . 0.0 OUTLIER -126.9 138.03 53.24 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.292 -176.854 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.426 ' HD2' ' HB3' ' A' ' 73' ' ' SER . 43.5 ttp180 -111.02 119.0 37.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.001 0.429 . . . . 0.0 110.02 177.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 97.9 m -94.9 123.19 38.23 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.711 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 9.0 m -91.91 115.29 27.93 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 176.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.482 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 3.6 m -95.07 123.0 38.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.688 -173.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 53.3 t80 -121.86 134.56 54.88 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 171.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.587 ' HB ' HD12 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -103.03 113.67 27.33 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.08 175.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.521 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 31.2 t80 -75.85 95.1 3.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.235 0.54 . . . . 0.0 111.175 -172.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.618 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 83.8 mt-30 -77.04 121.28 23.32 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.249 169.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.521 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 40.8 t-20 -54.05 117.17 12.0 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 175.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -56.42 -13.91 11.36 Favored 'Trans proline' 0 CA--C 1.528 0.194 0 C-N-CA 123.289 2.659 . . . . 0.0 113.656 -174.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -119.89 4.93 10.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.794 -0.184 . . . . 0.0 111.331 -177.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.521 ' HB2' ' HB3' ' A' ' 97' ' ' ASN . 35.1 m -139.44 -17.25 1.01 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -175.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 65.12 7.82 4.36 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.201 0.6 . . . . 0.0 112.597 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.618 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 11.7 pt-20 -87.43 157.62 19.17 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.79 HD11 ' HG2' ' A' ' 68' ' ' LYS . 51.8 mt -103.95 111.28 32.98 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.549 0 CA-C-O 121.441 0.639 . . . . 0.0 109.981 176.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.45 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 4.1 pt-20 -85.35 -37.64 19.67 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.122 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.432 ' CD2' ' HG3' ' A' ' 104' ' ' GLU . 22.5 p90 -167.19 177.58 6.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.498 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 63.1 mt -104.62 145.65 12.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.599 178.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.588 HG12 ' HG2' ' A' ' 15' ' ' ARG . 58.7 mt -115.27 113.25 42.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 174.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 91' ' ' SER . 22.3 p -109.66 126.18 53.39 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.372 0.606 . . . . 0.0 111.437 -174.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.433 ' HB ' ' HB2' ' A' ' 91' ' ' SER . 7.4 m -93.85 118.01 30.88 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 170.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -109.11 110.52 21.78 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.196 -172.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.0 m -114.57 130.16 56.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.082 -175.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -87.06 111.53 20.99 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 33.3 t -81.19 -83.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.069 0.461 . . . . 0.0 109.927 -178.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -123.79 179.55 4.77 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.701 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -98.39 151.89 20.07 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.397 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.3 t -78.56 172.08 14.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.797 -174.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 38.1 t -66.28 85.19 0.1 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.079 175.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -78.87 62.52 3.36 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 177.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.201 -0.904 . . . . 0.0 109.773 -175.279 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.894 -0.482 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.447 ' HB2' ' HG2' ' A' ' 38' ' ' GLN . . . -159.19 -164.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' A' ' 2' ' ' ALA . 74.7 mtp 74.9 7.76 4.24 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.875 0.734 . . . . 0.0 110.393 -176.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -92.94 -8.24 43.74 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 170.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.473 HD22 HG11 ' A' ' 30' ' ' VAL . 9.5 p-10 -92.35 141.96 27.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.66 -173.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.9 p -163.82 142.43 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.459 178.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.7 t 63.55 76.31 0.36 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.503 0.668 . . . . 0.0 110.633 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.757 ' HA ' HE21 ' A' ' 8' ' ' GLN . 0.0 OUTLIER -118.45 163.15 26.82 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.251 -177.499 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.442 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 31.8 Cg_exo -59.09 157.4 29.77 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.693 2.262 . . . . 0.0 111.744 169.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.3 p -89.15 31.7 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.375 0.607 . . . . 0.0 111.177 -179.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -140.2 134.29 30.93 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.626 ' HB3' ' HB2' ' A' ' 28' ' ' ARG . 32.2 p90 -139.35 141.54 37.64 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.303 0.573 . . . . 0.0 111.267 -178.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.6 mt -93.58 138.23 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.182 177.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 p -143.64 147.92 35.05 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.172 0.51 . . . . 0.0 111.76 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.455 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 7.7 mtp180 -110.48 121.31 45.0 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 175.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.571 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.4 OUTLIER -135.99 157.76 46.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.605 0.717 . . . . 0.0 112.625 -173.206 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.704 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 1.2 t-20 -69.04 148.31 50.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 113.804 -1.544 . . . . 0.0 109.761 176.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.501 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 35.7 pt -49.01 -29.71 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 O-C-N 124.519 1.137 . . . . 0.0 114.053 -170.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -81.91 -6.12 58.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.703 0.287 . . . . 0.0 111.471 -178.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.69 10.72 26.34 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.713 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.704 ' HB ' ' HB3' ' A' ' 17' ' ' ASN . 47.9 mm -81.11 123.08 37.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.999 0.399 . . . . 0.0 110.617 -174.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.603 ' CE2' ' HB ' ' A' ' 45' ' ' ILE . 63.3 m-85 -74.56 118.23 17.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.169 0.509 . . . . 0.0 111.469 -178.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.6 m -107.92 -31.56 7.94 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.12 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.455 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 89.5 t80 -145.74 125.89 13.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.123 176.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.58 137.56 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.758 0.313 . . . . 0.0 110.952 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.595 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 13.4 t70 -72.81 149.4 43.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.463 0.649 . . . . 0.0 111.338 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 5' ' ' ASN . 21.0 m80 -50.1 -25.33 3.38 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.438 -1.255 . . . . 0.0 113.012 -177.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.626 ' HB2' ' HB3' ' A' ' 12' ' ' PHE . 39.7 mtt180 -63.8 -12.46 35.87 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -175.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.5 t -56.1 -36.58 68.31 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.994 0.426 . . . . 0.0 111.688 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.748 HG13 ' HA ' ' A' ' 36' ' ' GLN . 5.2 m -64.96 -37.92 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 -175.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.2 -46.94 16.9 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.369 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.411 HG22 ' HB2' ' A' ' 112' ' ' ASN . 17.2 m -50.77 -50.19 56.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.498 177.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.62 HG11 ' CD1' ' A' ' 78' ' ' PHE . 18.4 m -132.27 -30.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -174.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.427 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 123.13 -26.11 6.2 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 119.827 -1.178 . . . . 0.0 113.362 -177.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.453 ' H ' HG23 ' A' ' 33' ' ' VAL . 24.3 m-85 -72.13 138.91 48.04 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.654 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.748 ' HA ' HG13 ' A' ' 30' ' ' VAL . 26.2 mm-40 -82.64 152.75 67.18 Favored Pre-proline 0 C--N 1.312 -1.037 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 174.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.7 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 80.1 Cg_exo -44.2 -50.53 7.63 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.004 1.802 . . . . 0.0 110.896 175.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.447 ' HG2' ' HB2' ' A' ' 2' ' ' ALA . 13.4 mm-40 -52.86 -50.76 63.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.605 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -62.73 -31.95 72.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.579 -174.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 tp -82.9 -27.73 30.46 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.383 -176.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 81.0 mt -59.36 111.78 1.5 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.641 178.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.88 -22.1 15.0 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.223 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.414 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 8.0 mmpt? -97.13 138.72 34.2 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.565 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 31.1 t-20 -75.92 140.11 41.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.917 175.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.603 ' HB ' ' CE2' ' A' ' 22' ' ' PHE . 14.7 tt -59.31 -26.94 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.635 175.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.411 HG13 ' CG ' ' A' ' 44' ' ' ASN . 2.5 p -77.78 -16.45 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.929 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.565 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 55.8 mm-40 -66.43 -42.9 87.02 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.363 0.601 . . . . 0.0 109.706 175.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.647 ' HB3' ' HB3' ' A' ' 79' ' ' ARG . 43.8 m-85 -100.29 23.54 9.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.962 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 47.4 t -97.09 134.88 39.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.381 173.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.895 ' HD1' ' HG2' ' A' ' 52' ' ' GLU . 15.7 t-80 -56.61 127.8 73.78 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.29 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -52.69 -19.32 10.34 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 123.925 3.083 . . . . 0.0 115.159 -171.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.895 ' HG2' ' HD1' ' A' ' 50' ' ' HIS . 11.8 pt-20 -92.88 -14.21 27.94 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.847 -0.533 . . . . 0.0 111.015 -177.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.696 ' OD1' ' HB3' ' A' ' 50' ' ' HIS . 0.6 OUTLIER -120.47 8.51 10.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.415 0.626 . . . . 0.0 110.145 -177.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -64.34 -32.4 73.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.818 173.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -63.22 -35.08 79.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.145 176.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.98 -48.31 79.39 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.345 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.442 HD21 ' HA ' ' A' ' 57' ' ' LEU . 17.4 mt -61.37 -40.5 94.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.747 176.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -59.98 -60.21 4.2 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.526 0.203 . . . . 0.0 110.563 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.672 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 26.6 t70 -61.17 -46.08 91.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.607 -177.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 98.0 p -65.05 -44.08 90.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.131 0.491 . . . . 0.0 111.384 -172.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.539 ' O ' HG23 ' A' ' 65' ' ' VAL . 10.2 m-30 -61.42 -39.97 92.72 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.202 178.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.523 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 9.3 mm100 -65.71 -40.77 92.57 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.711 176.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.672 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 84.8 mm-40 -63.04 -46.56 86.97 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.449 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 1.01 HG12 ' HG ' ' A' ' 92' ' ' SER . 7.8 p -67.7 -25.19 32.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.808 0.337 . . . . 0.0 111.121 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.781 ' HA ' HG22 ' A' ' 94' ' ' THR . 74.8 t -69.74 -32.87 53.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.54 0.686 . . . . 0.0 109.344 173.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 54.5 mtpt -80.12 -33.6 38.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.285 175.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 62.0 mt -86.03 30.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.704 -179.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.862 ' HG2' HD13 ' A' ' 103' ' ' ILE . 96.7 mttt -28.06 108.71 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.56 -21.91 31.6 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.865 174.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -90.88 138.04 31.9 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.647 0.261 . . . . 0.0 110.42 -176.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.57 124.51 36.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.121 0.486 . . . . 0.0 110.259 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.9 tp -124.84 114.35 19.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.997 -176.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 91' ' ' SER . 19.4 m -99.82 121.24 41.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.176 0.512 . . . . 0.0 111.08 -175.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.3 p -118.15 138.23 49.51 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.658 0 CA-C-O 121.861 0.838 . . . . 0.0 110.493 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 19.3 ttt -106.42 129.62 54.37 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.616 -175.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.472 ' CZ ' HD13 ' A' ' 45' ' ' ILE . 26.7 p90 -153.59 178.85 9.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.434 -176.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.737 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 17.4 mtt180 -105.83 110.42 22.71 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.64 0.257 . . . . 0.0 110.476 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.62 ' CD1' HG11 ' A' ' 33' ' ' VAL . 3.3 t80 -84.89 136.74 33.51 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.709 ' HG2' ' HA ' ' A' ' 83' ' ' GLN . 36.8 ttt180 -83.17 106.72 15.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.234 0.54 . . . . 0.0 111.148 179.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.483 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 29.7 t -53.94 166.54 0.35 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.105 170.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.427 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 23.9 tptp -65.23 -10.53 32.59 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.359 0.599 . . . . 0.0 110.354 177.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -90.97 -1.43 57.82 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.709 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 27.8 mm-40 65.94 27.72 10.75 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 113.687 -1.597 . . . . 0.0 110.853 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.595 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 34.3 mm-40 -91.43 164.12 13.94 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.573 171.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.471 ' CG ' ' HD2' ' A' ' 50' ' ' HIS . 73.2 m95 -117.81 88.35 2.9 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.463 -173.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.475 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.2 pp -93.96 168.58 10.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.43 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -88.65 130.97 35.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.269 0.556 . . . . 0.0 110.876 -176.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.516 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 1.4 ttp -141.7 132.49 25.76 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.844 173.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -107.56 111.25 23.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.574 0.702 . . . . 0.0 109.392 174.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.8 m -96.58 130.35 43.78 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.948 -177.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 47.6 m -95.2 128.05 41.73 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 1.01 ' HG ' HG12 ' A' ' 64' ' ' VAL . 9.2 t -103.1 156.54 17.62 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.476 0.655 . . . . 0.0 110.686 -176.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.48 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 70.9 t80 -151.91 135.34 16.05 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.391 -1.277 . . . . 0.0 108.338 176.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.781 HG22 ' HA ' ' A' ' 65' ' ' VAL . 1.3 p -102.43 106.38 17.11 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 120.996 0.426 . . . . 0.0 110.321 177.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.48 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 18.1 t80 -69.86 111.86 5.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.133 -175.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.567 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 47.9 mt-30 -99.18 141.71 31.6 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.077 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -67.54 115.42 26.79 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 170.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 99' ' ' TYR . 20.3 Cg_endo -62.17 -6.55 8.35 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 123.028 2.485 . . . . 0.0 113.456 -175.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.438 ' CD2' ' HG2' ' A' ' 98' ' ' PRO . 63.4 m-85 -124.12 4.22 8.59 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.547 0.202 . . . . 0.0 111.547 -177.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.8 t -144.64 -13.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.975 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 68.47 1.19 2.85 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.567 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 44.9 mt-10 -67.51 151.82 46.71 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.467 0.175 . . . . 0.0 110.629 179.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.862 HD13 ' HG2' ' A' ' 68' ' ' LYS . 61.5 mt -98.85 114.98 38.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.504 0.669 . . . . 0.0 109.992 173.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.427 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 1.0 OUTLIER -69.65 -48.35 60.17 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.19 -1.368 . . . . 0.0 109.424 -177.854 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -172.94 173.38 3.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.249 -176.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.571 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 44.6 mt -97.95 140.2 18.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 59.8 mt -112.79 108.85 26.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.0 p -106.47 117.46 34.1 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.237 0.541 . . . . 0.0 111.303 -176.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.0 m -93.66 120.43 33.92 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 173.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.516 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 35.4 m-80 -104.99 110.23 22.54 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -170.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 54.3 m -103.8 114.0 27.93 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.455 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.411 ' HB2' HG22 ' A' ' 32' ' ' THR . 3.0 t-20 -74.54 110.56 8.94 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -87.17 -112.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -178.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -89.95 167.1 13.07 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.282 0.563 . . . . 0.0 110.512 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.772 ' HB3' ' HB3' ' A' ' 119' ' ' GLU . 32.7 t-20 -118.07 145.7 44.64 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.463 -178.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.6 t -90.49 -35.19 15.24 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.971 -169.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.9 p -165.5 37.68 0.06 Allowed 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -173.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -172.24 43.05 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.309 0.576 . . . . 0.0 110.518 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.772 ' HB3' ' HB3' ' A' ' 115' ' ' ASN . 10.3 pt-20 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.602 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 112.026 -0.429 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.538 ' HB2' ' HB2' ' A' ' 37' ' ' PRO . . . -64.69 103.52 0.7 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.328 0.585 . . . . 0.0 111.279 179.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.638 ' HA ' ' HB3' ' A' ' 36' ' ' GLN . 53.6 ttm -157.85 137.46 12.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.775 -175.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.594 ' H ' HE21 ' A' ' 36' ' ' GLN . 87.6 m-20 67.37 80.39 0.21 Allowed 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.089 0.868 . . . . 0.0 110.455 -178.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 30' ' ' VAL . 17.0 m-80 -129.6 130.31 45.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.008 -174.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.515 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 24.3 t -137.08 89.3 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.392 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.515 ' HB2' ' O ' ' A' ' 6' ' ' VAL . 12.5 t 172.58 38.56 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.425 0.631 . . . . 0.0 109.393 173.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.645 ' HB3' ' HA ' ' A' ' 28' ' ' ARG . 82.3 mm-40 -121.06 148.39 48.85 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.641 -172.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.839 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 22.9 Cg_exo -66.16 164.64 27.05 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.246 2.63 . . . . 0.0 111.688 172.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.54 34.09 0.76 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.512 0.672 . . . . 0.0 111.376 -175.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.41 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 26.9 tt0 -142.82 134.18 26.2 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 173.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -128.04 143.16 51.07 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.955 -178.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.1 mt -97.22 126.91 49.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.258 174.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.7 p -136.3 145.44 45.52 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.428 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.523 ' HD2' ' CE1' ' A' ' 105' ' ' TYR . 72.7 mtm180 -119.96 129.75 54.46 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.646 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 1.7 p-80 -134.82 162.39 32.51 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.144 0.497 . . . . 0.0 111.722 -174.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.27 154.2 39.06 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.5 pt -49.43 -27.61 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -168.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -73.23 -15.57 61.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.992 0.425 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.6 14.57 19.37 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.244 -176.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.6 mm -91.53 117.32 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 -175.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.456 ' CD2' ' HG ' ' A' ' 40' ' ' LEU . 88.4 m-85 -67.07 135.33 53.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.006 0.431 . . . . 0.0 111.729 -176.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.2 t -122.87 -28.39 4.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.08 177.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -139.8 121.84 15.71 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.481 176.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.7 t -124.72 133.72 68.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.239 178.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -83.58 148.92 26.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.395 0.617 . . . . 0.0 110.998 176.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.533 ' O ' HG22 ' A' ' 30' ' ' VAL . 51.9 m80 -48.56 -27.05 2.51 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 114.749 -1.114 . . . . 0.0 113.808 -174.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.839 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 77.7 mtt85 -61.78 -11.27 11.61 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -176.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 27.8 t -62.43 -33.32 74.57 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.761 0.315 . . . . 0.0 111.494 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 27' ' ' HIS . 30.3 m -60.35 -43.27 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.972 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.431 ' N ' HG21 ' A' ' 30' ' ' VAL . . . -74.54 -49.7 20.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.784 -176.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.2 m -53.26 -47.54 69.02 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.604 HG13 ' CD2' ' A' ' 78' ' ' PHE . 15.8 m -135.81 -29.15 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -173.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.94 -0.61 25.7 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 119.558 -1.306 . . . . 0.0 113.237 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.491 ' H ' HG21 ' A' ' 33' ' ' VAL . 17.9 m-85 -90.49 114.78 27.04 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.12 175.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.638 ' HB3' ' HA ' ' A' ' 3' ' ' MET . 0.6 OUTLIER -68.06 144.55 97.09 Favored Pre-proline 0 C--N 1.31 -1.145 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 173.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.724 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 59.7 Cg_exo -41.6 -44.75 6.35 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.766 2.311 . . . . 0.0 113.528 -174.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 2' ' ' ALA . 27.8 mm-40 -59.94 -42.79 94.78 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.884 0.373 . . . . 0.0 111.067 178.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -73.24 -2.59 22.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.795 -172.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.456 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 15.1 tp -111.74 -25.48 9.47 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.894 0.378 . . . . 0.0 110.476 177.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.724 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 85.1 mt -62.24 130.5 45.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.563 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.34 -21.9 42.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.548 174.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -108.39 155.67 20.29 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.596 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 8.0 t-20 -81.77 147.01 29.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 -175.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.462 HG13 ' HE1' ' A' ' 78' ' ' PHE . 12.4 tt -59.68 -38.35 75.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.379 174.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.534 ' HA ' ' HB2' ' A' ' 49' ' ' CYS . 97.8 t -67.16 -23.2 30.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.059 -176.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.596 ' HG3' ' HB3' ' A' ' 44' ' ' ASN . 43.4 mt-10 -67.71 -32.16 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.268 0.556 . . . . 0.0 109.993 178.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -104.49 20.25 18.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.034 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.534 ' HB2' ' HA ' ' A' ' 46' ' ' VAL . 46.1 m -109.57 129.73 55.56 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.775 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -49.44 125.01 15.31 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.29 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -49.62 -24.28 9.24 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 124.174 3.249 . . . . 0.0 114.864 -174.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -85.93 -8.06 58.26 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 122.26 -0.275 . . . . 0.0 111.244 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -112.91 7.98 18.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.033 0.444 . . . . 0.0 110.374 -176.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.506 ' HG2' HG11 ' A' ' 46' ' ' VAL . 74.9 mt-30 -70.06 -31.3 68.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.914 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.29 -46.23 81.23 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.2 mt -51.64 -50.55 60.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.803 173.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.466 HD13 ' SG ' ' A' ' 49' ' ' CYS . 96.2 mt -61.01 -41.52 96.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.148 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.462 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 83.6 mtt180 -55.69 -60.5 3.36 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.175 0.512 . . . . 0.0 110.047 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.516 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 11.3 t70 -58.3 -46.32 86.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.918 -173.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 65.6 p -68.19 -50.32 55.02 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.378 0.608 . . . . 0.0 111.041 -175.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.58 ' O ' HG23 ' A' ' 65' ' ' VAL . 12.5 m-30 -65.2 -37.55 87.66 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.103 -176.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 3.5 pt20 -77.08 -30.23 55.36 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.047 0.451 . . . . 0.0 110.463 -177.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.516 ' HG3' ' O ' ' A' ' 59' ' ' ASP . 93.7 mt-30 -78.95 -30.64 44.69 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.087 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.414 HG11 ' HB3' ' A' ' 92' ' ' SER . 9.9 p -72.87 -23.6 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.221 176.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.697 ' HA ' HG23 ' A' ' 94' ' ' THR . 79.8 t -69.81 -33.9 58.13 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 170.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -76.32 -32.42 58.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.455 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.576 HD12 HD13 ' A' ' 72' ' ' LEU . 47.0 mt -91.42 30.11 1.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.772 -178.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.629 ' HG2' HD12 ' A' ' 103' ' ' ILE . 99.4 mttt -31.26 115.45 0.14 Allowed 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -179.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.9 -16.37 55.99 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.162 -0.927 . . . . 0.0 112.351 176.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.433 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 45.8 mt-30 -99.73 137.55 38.04 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.543 ' HA ' ' O ' ' A' ' 92' ' ' SER . 41.5 t -83.96 128.04 39.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.003 178.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.576 HD13 HD12 ' A' ' 67' ' ' LEU . 10.6 tp -114.95 123.0 47.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.061 -177.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.9 t -96.04 122.23 38.64 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.881 0.372 . . . . 0.0 111.023 -174.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.6 p -132.4 136.8 55.64 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.596 0 CA-C-O 121.725 0.774 . . . . 0.0 110.378 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 23.8 ttt -110.93 129.91 55.74 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.578 -174.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.438 ' HE2' ' HD1' ' A' ' 78' ' ' PHE . 32.4 p90 -154.08 178.92 9.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.725 -174.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 45.1 mtm180 -111.33 130.13 55.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.127 0.489 . . . . 0.0 111.2 178.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.604 ' CD2' HG13 ' A' ' 33' ' ' VAL . 10.5 t80 -105.86 146.61 29.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.594 -174.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -82.0 102.96 11.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.064 0.459 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.8 t -56.78 165.82 1.11 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.062 171.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -67.81 -9.05 41.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.702 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -98.96 6.94 46.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.765 178.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 68.57 19.5 8.64 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.319 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.798 ' HB2' HE22 ' A' ' 118' ' ' GLN . 11.7 pt-20 -95.93 155.15 16.87 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.428 ' O ' ' HD2' ' A' ' 77' ' ' ARG . 75.2 m95 -116.18 97.95 6.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.957 0.408 . . . . 0.0 110.542 -172.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.522 HD12 HG12 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -97.43 168.05 10.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.704 -175.038 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -89.63 123.65 33.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.864 -175.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 9.3 ptp -137.03 150.66 48.23 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.297 171.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 89' ' ' ARG . 39.2 ttm180 -118.36 114.31 22.74 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 176.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.4 m -94.86 134.75 37.15 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.678 -175.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.6 m -92.55 116.76 29.29 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.976 174.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.543 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 5.9 m -93.59 130.9 39.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.465 -174.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -135.53 135.42 40.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.587 173.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.697 HG23 ' HA ' ' A' ' 65' ' ' VAL . 2.4 p -104.96 113.17 26.6 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.458 176.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -75.2 126.16 30.44 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 -176.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -101.29 137.74 39.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.362 0.601 . . . . 0.0 112.112 -171.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.46 ' HB3' ' HG3' ' A' ' 102' ' ' GLU . 39.6 t-20 -72.45 108.65 4.57 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 114.787 -1.097 . . . . 0.0 108.19 167.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.409 ' HG2' ' CE1' ' A' ' 99' ' ' TYR . 25.1 Cg_endo -61.63 -4.45 4.5 Favored 'Trans proline' 0 N--CA 1.476 0.46 0 C-N-CA 123.301 2.667 . . . . 0.0 114.103 -171.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.409 ' CE1' ' HG2' ' A' ' 98' ' ' PRO . 66.4 m-85 -111.13 -14.01 13.94 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 122.308 -0.245 . . . . 0.0 111.452 -178.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.0 t -137.74 -2.36 1.94 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 120.545 -0.462 . . . . 0.0 112.131 -174.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 55.79 18.33 2.88 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.46 ' HG3' ' HB3' ' A' ' 97' ' ' ASN . 1.1 pp20? -92.04 159.25 15.8 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.629 HD12 ' HG2' ' A' ' 68' ' ' LYS . 47.2 mm -97.81 115.63 38.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.734 0.302 . . . . 0.0 110.236 -173.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -74.08 -39.46 63.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.324 178.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.523 ' CE1' ' HD2' ' A' ' 15' ' ' ARG . 15.1 p90 -165.07 165.89 19.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.544 178.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.646 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 50.5 mt -104.8 141.53 20.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.442 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.402 HG12 ' HG2' ' A' ' 15' ' ' ARG . 62.0 mt -112.24 112.3 39.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.0 p -105.26 109.32 21.26 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.357 0.598 . . . . 0.0 110.959 -178.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.6 m -89.52 114.68 26.25 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 172.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -106.3 111.44 24.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.844 0.354 . . . . 0.0 110.233 -170.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.1 m -109.13 113.43 26.27 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.86 -176.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -82.45 131.64 35.22 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.2 t -115.11 -89.63 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.492 -176.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -91.07 176.24 6.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.792 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -124.1 33.43 5.29 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.325 0.583 . . . . 0.0 111.052 -173.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.0 t 60.06 26.5 15.85 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.653 173.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.6 t 60.85 23.81 13.81 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.394 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.798 HE22 ' HB2' ' A' ' 84' ' ' GLU . 25.3 mt-30 -79.04 8.05 6.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.398 0.618 . . . . 0.0 110.556 177.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--O 1.248 0.996 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.69 175.144 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 111.794 -0.522 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 71.34 173.4 0.31 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.179 0.592 . . . . 0.0 110.989 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.3 mtm 59.75 -166.54 0.18 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.232 -175.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.4 t70 60.39 84.43 0.12 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.595 0.712 . . . . 0.0 111.104 175.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -114.41 155.59 26.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.941 -174.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.464 HG23 ' SG ' ' A' ' 7' ' ' CYS . 13.7 p -172.25 137.75 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 O-C-N 123.17 0.294 . . . . 0.0 110.874 178.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.464 ' SG ' HG23 ' A' ' 6' ' ' VAL . 63.7 m 62.17 58.69 1.76 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.148 0.499 . . . . 0.0 111.793 175.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.657 ' HG2' ' HB2' ' A' ' 31' ' ' ALA . 5.2 pm0 -119.01 141.67 30.65 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.812 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.811 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 23.7 Cg_exo -65.58 163.44 30.1 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.329 2.686 . . . . 0.0 111.974 175.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.5 m -83.9 10.6 9.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.606 0.717 . . . . 0.0 111.207 -174.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.633 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 8.5 pt-20 -126.42 134.36 51.02 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 173.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.416 ' CB ' ' HB2' ' A' ' 28' ' ' ARG . 37.9 p90 -119.88 143.05 48.14 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.296 -177.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.3 mt -93.55 115.06 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.067 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.9 t -108.11 132.32 53.71 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.744 -174.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.458 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 7.6 mpt_? -105.41 113.77 27.55 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 173.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.402 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -140.51 151.49 44.83 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.059 -174.007 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -77.02 158.9 30.29 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.506 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 35.3 pt -49.99 -28.4 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -167.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.534 ' HB2' HG12 ' A' ' 21' ' ' ILE . 39.1 mt-10 -70.01 -13.54 62.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.83 0.348 . . . . 0.0 111.046 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.99 7.8 46.36 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -174.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.534 HG12 ' HB2' ' A' ' 19' ' ' GLU . 29.1 mm -86.55 124.23 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 -173.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.589 ' CD2' ' HG ' ' A' ' 40' ' ' LEU . 90.8 m-85 -72.17 127.57 32.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.821 0.344 . . . . 0.0 111.484 -176.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 p -112.05 -35.2 5.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.041 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.458 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 70.8 t80 -144.67 121.84 11.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 0.0 110.113 177.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.443 ' HB ' ' HA ' ' A' ' 37' ' ' PRO . 90.4 t -122.23 137.73 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.939 0.4 . . . . 0.0 110.989 -177.158 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.608 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 11.6 t70 -81.42 149.23 28.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.75 176.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.49 ' O ' HG22 ' A' ' 30' ' ' VAL . 28.9 m170 -52.58 -20.71 3.19 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.811 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 90.5 mtt180 -57.47 -18.13 16.86 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.1 t -54.6 -35.01 62.91 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 27' ' ' HIS . 19.7 m -68.13 -31.39 51.53 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-O 120.888 0.375 . . . . 0.0 111.076 -178.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.657 ' HB2' ' HG2' ' A' ' 8' ' ' GLN . . . -72.9 -51.91 16.76 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.672 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.51 HG23 HG12 ' A' ' 33' ' ' VAL . 9.2 m -62.11 -56.07 22.55 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.578 HG11 ' CD1' ' A' ' 78' ' ' PHE . 16.6 m -136.78 22.91 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -170.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.35 -26.58 1.27 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 114.863 0.705 . . . . 0.0 114.863 172.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -70.91 146.04 49.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 117.58 0.69 . . . . 0.0 111.37 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.447 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -89.53 150.43 44.36 Favored Pre-proline 0 C--N 1.316 -0.869 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 172.464 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.749 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 84.9 Cg_exo -44.58 -51.2 7.4 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.347 2.032 . . . . 0.0 112.202 -178.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -54.94 -46.77 75.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.495 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.447 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 7.1 mm-40 -66.59 -22.38 66.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.782 -172.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.589 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 14.5 tp -90.45 -31.88 16.63 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.244 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.749 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 74.4 mt -60.41 120.39 9.8 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.94 -18.89 23.72 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.685 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.756 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -99.62 155.29 17.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.901 0.381 . . . . 0.0 110.62 178.746 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -90.69 144.06 26.11 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 170.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.476 HD12 ' HZ ' ' A' ' 76' ' ' PHE . 13.2 tt -57.89 -30.17 37.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.045 0.45 . . . . 0.0 110.031 175.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.478 HG13 ' HG2' ' A' ' 54' ' ' GLN . 95.4 t -61.66 -32.86 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.356 175.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.8 -35.29 80.13 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.09 0.472 . . . . 0.0 111.165 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -105.37 17.04 24.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.113 178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.44 ' SG ' ' HB2' ' A' ' 53' ' ' ASP . 38.9 t -94.44 132.83 38.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.782 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.464 ' HB3' ' OD2' ' A' ' 53' ' ' ASP . 60.5 t60 -45.01 126.18 5.37 Favored Pre-proline 0 CA--C 1.53 0.184 0 O-C-N 123.879 0.737 . . . . 0.0 110.189 174.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.423 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 86.2 Cg_exo -49.36 -25.44 10.15 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 124.001 3.134 . . . . 0.0 114.929 -170.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -84.98 -10.35 57.12 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.48 -178.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.464 ' OD2' ' HB3' ' A' ' 50' ' ' HIS . 38.3 m-20 -109.0 -5.04 16.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.732 0.301 . . . . 0.0 110.333 -172.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.478 ' HG2' HG13 ' A' ' 46' ' ' VAL . 75.9 mt-30 -59.46 -38.78 81.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.985 0.422 . . . . 0.0 111.799 -176.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -38.43 78.85 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.4 tt -61.89 -43.24 99.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.513 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.76 -41.67 95.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.895 176.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 69.6 mtt85 -58.26 -50.79 72.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.916 0.388 . . . . 0.0 110.278 178.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.669 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 29.5 t70 -63.59 -39.45 94.42 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.179 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.0 p -65.06 -43.83 91.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.511 0.672 . . . . 0.0 110.239 -175.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.537 ' O ' HG21 ' A' ' 65' ' ' VAL . 11.6 m-85 -68.27 -40.48 81.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.658 -179.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.516 ' HG2' ' HA ' ' A' ' 59' ' ' ASP . 7.5 pt20 -73.94 -29.26 61.92 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.681 -177.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.669 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 76.3 mm-40 -63.72 -44.81 92.47 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.831 176.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.427 HG11 ' O ' ' A' ' 61' ' ' PHE . 9.4 p -69.68 -24.25 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.662 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.537 HG21 ' O ' ' A' ' 61' ' ' PHE . 81.3 t -71.09 -32.09 46.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.452 0.644 . . . . 0.0 109.688 173.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -74.02 -38.54 64.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.228 174.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.48 ' HB3' ' HB3' ' A' ' 70' ' ' GLN . 93.1 mt -71.47 -55.63 7.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.47 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.509 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 98.4 mttt 58.6 98.39 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.613 0.72 . . . . 0.0 112.247 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.45 -20.4 37.36 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.37 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.652 ' HA ' HE21 ' A' ' 70' ' ' GLN . 0.0 OUTLIER -90.32 133.55 34.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 92' ' ' SER . 44.5 t -76.52 117.79 21.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.038 0.446 . . . . 0.0 109.95 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 67' ' ' LEU . 1.1 tm? -106.0 115.52 30.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.491 -175.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.3 p -89.42 122.25 32.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.795 0.331 . . . . 0.0 110.753 -178.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 p -118.74 130.27 73.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.274 0.559 . . . . 0.0 110.478 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 3.9 ttt -109.03 124.42 50.71 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.984 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.476 ' HZ ' HD12 ' A' ' 45' ' ' ILE . 15.4 p90 -160.07 179.0 9.12 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.078 -174.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.598 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 37.1 mtt180 -106.8 126.28 52.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.972 0.415 . . . . 0.0 111.272 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.578 ' CD1' HG11 ' A' ' 33' ' ' VAL . 4.4 t80 -103.95 144.05 32.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.371 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.583 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 4.3 ttm180 -81.43 107.18 13.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.026 0.441 . . . . 0.0 111.41 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.444 ' HB3' ' HB2' ' A' ' 84' ' ' GLU . 28.4 t -59.5 163.26 4.24 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.295 169.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -68.09 -10.78 56.62 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.424 176.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -94.5 6.79 47.73 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 177.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 64.02 34.03 11.72 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.576 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.583 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 16.0 mm-40 -90.01 173.65 8.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.122 -0.944 . . . . 0.0 109.02 170.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.433 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 73.0 m95 -139.78 87.25 2.15 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.598 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -97.27 160.24 14.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.296 0.569 . . . . 0.0 112.267 -171.785 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -78.97 122.2 25.87 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.874 -178.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 10.0 ptp -133.94 143.8 48.42 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.877 175.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.8 110.15 21.98 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.031 173.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 109' ' ' THR . 69.2 m -94.79 130.65 41.25 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.86 178.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.596 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 12.7 p -93.55 126.44 38.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.733 176.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 4.6 m -103.36 128.89 50.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.825 0.345 . . . . 0.0 111.327 -176.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.415 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 35.0 t80 -133.89 135.4 43.62 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.327 172.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.645 ' HB ' HD12 ' A' ' 103' ' ' ILE . 30.3 p -94.15 108.74 20.57 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.488 177.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.415 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 3.1 t80 -77.97 98.83 5.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.165 0.507 . . . . 0.0 109.782 -177.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.711 ' HG2' HD11 ' A' ' 103' ' ' ILE . 52.5 mt-30 -90.97 132.44 35.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.538 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.437 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 25.0 t-20 -70.54 124.78 91.48 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.436 ' HG2' ' CD2' ' A' ' 99' ' ' TYR . 31.1 Cg_endo -64.01 -10.61 23.68 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 123.037 2.492 . . . . 0.0 113.497 -172.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.436 ' CD2' ' HG2' ' A' ' 98' ' ' PRO . 88.3 m-85 -119.63 -5.71 10.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.563 0.221 . . . . 0.0 111.453 -177.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.437 ' HB2' ' HB3' ' A' ' 97' ' ' ASN . 17.3 m -123.33 -18.7 6.17 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.341 -177.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 68.82 -10.94 0.46 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.572 0.749 . . . . 0.0 112.776 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -83.94 165.31 18.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.836 0.35 . . . . 0.0 110.744 -177.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.711 HD11 ' HG2' ' A' ' 96' ' ' GLN . 11.6 mm -91.42 105.23 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.86 -35.09 79.24 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.066 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.465 ' HE1' HD13 ' A' ' 107' ' ' ILE . 6.9 p90 -173.74 169.62 4.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.842 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 53.3 mt -98.57 143.79 12.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.278 177.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.465 HD13 ' HE1' ' A' ' 105' ' ' TYR . 34.0 mm -110.1 115.77 50.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 91' ' ' SER . 67.8 m -129.04 127.16 40.99 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.026 0.441 . . . . 0.0 111.595 -175.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 90' ' ' THR . 24.5 m -99.01 125.72 44.55 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 172.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -105.21 110.77 23.26 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -175.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.3 m -109.3 110.03 21.09 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.169 -173.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -81.09 114.02 19.66 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.402 ' HB ' ' H ' ' A' ' 114' ' ' LYS . 13.3 t -87.99 -99.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.449 -174.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.402 ' H ' ' HB ' ' A' ' 113' ' ' VAL . 0.2 OUTLIER -149.12 176.37 10.54 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.477 0.179 . . . . 0.0 111.382 177.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 67.23 140.29 0.03 OUTLIER 'General case' 0 C--O 1.235 0.335 0 O-C-N 124.292 0.995 . . . . 0.0 110.981 -177.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.548 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 50.1 m 67.8 11.45 8.38 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.3 m -102.83 119.59 39.11 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.291 178.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.463 ' HB2' ' HG3' ' A' ' 84' ' ' GLU . 7.3 tp-100 -88.65 0.41 56.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.814 0.34 . . . . 0.0 110.993 -174.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.605 -0.712 . . . . 0.0 110.175 -179.784 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.551 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.407 ' HB2' ' NE2' ' A' ' 38' ' ' GLN . . . -155.88 -63.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.046 -0.091 . . . . 0.0 110.795 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 54.1 mtm 56.21 -101.4 0.13 Allowed 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.244 0.34 . . . . 0.0 110.263 -175.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.2 t70 47.29 69.04 0.55 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 124.002 0.814 . . . . 0.0 111.673 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -154.47 147.07 24.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.72 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -136.31 -39.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.225 0.536 . . . . 0.0 112.147 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.3 t -145.9 105.77 4.0 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.892 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.484 ' HB3' ' HA ' ' A' ' 28' ' ' ARG . 85.3 mm-40 -120.32 154.57 56.37 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.791 -178.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.469 ' HG2' ' NH1' ' A' ' 28' ' ' ARG . 37.8 Cg_exo -59.56 153.59 54.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.617 2.211 . . . . 0.0 111.222 170.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.47 ' C ' ' HG1' ' A' ' 32' ' ' THR . 0.2 OUTLIER -85.43 16.2 3.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.13 0.491 . . . . 0.0 111.783 -171.866 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -125.02 134.64 52.49 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 173.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -129.07 144.31 51.15 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.719 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.541 HG12 HG23 ' A' ' 109' ' ' THR . 62.4 mt -100.35 126.6 53.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.207 176.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.6 p -132.54 146.69 52.11 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.192 0.52 . . . . 0.0 110.81 -177.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.545 ' HG2' HG12 ' A' ' 107' ' ' ILE . 55.3 mtm180 -119.7 132.07 55.56 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.428 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -141.45 149.44 40.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.373 -170.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -71.7 158.4 36.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.395 -178.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.8 pt -50.47 -26.66 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 -167.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -75.57 -10.61 59.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.873 0.368 . . . . 0.0 111.385 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.9 8.46 36.69 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 116.02 -0.537 . . . . 0.0 112.034 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.6 mm -84.81 117.05 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 120.374 0.131 . . . . 0.0 111.215 -172.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.491 ' CE2' ' HB ' ' A' ' 45' ' ' ILE . 96.0 m-85 -68.61 128.31 36.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.9 0.381 . . . . 0.0 111.319 -177.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 t -117.71 -25.86 6.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.588 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -142.07 123.94 15.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.345 177.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.426 ' CG1' ' HB2' ' A' ' 29' ' ' CYS . 92.7 t -136.12 137.27 48.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 120.696 0.284 . . . . 0.0 110.968 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -82.76 149.37 27.28 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 174.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.578 ' HA ' ' CG ' ' A' ' 37' ' ' PRO . 47.2 m80 -56.47 -14.98 3.46 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.969 0.908 . . . . 0.0 113.209 -171.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.484 ' HA ' ' HB3' ' A' ' 8' ' ' GLN . 36.4 mtt-85 -64.96 -12.96 55.71 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.893 0.377 . . . . 0.0 110.593 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.428 ' O ' HG23 ' A' ' 33' ' ' VAL . 42.2 t -50.97 -38.67 52.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.316 176.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.544 HG13 ' HA ' ' A' ' 36' ' ' GLN . 3.9 m -65.08 -34.11 68.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.721 -176.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.23 -51.24 9.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.744 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.47 ' HG1' ' C ' ' A' ' 10' ' ' THR . 6.0 m -58.6 -54.28 48.88 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 177.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.663 ' O ' ' HA ' ' A' ' 80' ' ' SER . 9.7 m -121.08 -15.4 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -169.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.32 -35.97 4.59 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 119.213 -1.47 . . . . 0.0 113.101 177.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.472 ' H ' HG22 ' A' ' 33' ' ' VAL . 23.7 m-85 -71.02 143.75 50.66 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.939 0.399 . . . . 0.0 109.937 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.544 ' HA ' HG13 ' A' ' 30' ' ' VAL . 32.9 mm-40 -74.68 147.15 84.2 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 175.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.641 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 76.2 Cg_exo -48.6 -51.29 10.59 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 121.745 1.63 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.407 ' NE2' ' HB2' ' A' ' 2' ' ' ALA . 28.1 mp0 -53.48 -46.6 70.05 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.209 -1.36 . . . . 0.0 112.194 175.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.476 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 24.1 mm-40 -61.51 -30.75 70.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.987 0.423 . . . . 0.0 110.788 -177.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 tp -83.45 -28.73 28.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.706 -177.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 79.4 mt -58.5 119.8 7.67 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.675 -179.001 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.84 -12.5 56.28 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.037 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.79 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -102.82 157.67 16.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.867 0.365 . . . . 0.0 110.468 178.407 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.551 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 13.1 t-20 -92.19 144.86 24.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.626 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.492 HD13 ' CZ ' ' A' ' 76' ' ' PHE . 14.2 tt -62.96 -25.84 39.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.479 176.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.5 p -74.46 -23.12 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.747 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.551 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 59.9 mm-40 -63.59 -36.31 83.37 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.411 0.625 . . . . 0.0 109.915 177.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -111.04 18.23 19.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.363 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 39.3 t -89.04 138.09 31.73 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.682 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.554 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 55.7 t60 -48.81 123.6 11.99 Favored Pre-proline 0 C--N 1.334 -0.1 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.799 172.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -49.62 -27.25 14.34 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 124.134 3.223 . . . . 0.0 114.467 -172.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -88.48 -6.45 57.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -114.23 -1.36 13.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.333 . . . . 0.0 110.113 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -65.94 -39.05 90.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.481 -175.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.516 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 22.9 tm0? -73.03 -33.74 65.9 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.08 -41.72 93.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.103 176.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.425 HD21 HG22 ' A' ' 74' ' ' VAL . 24.8 mt -64.06 -40.27 95.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.819 175.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 41.8 mtt180 -51.11 -61.41 2.24 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.341 0.591 . . . . 0.0 110.489 175.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.525 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 40.5 t0 -58.28 -41.09 83.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.392 -1.277 . . . . 0.0 111.131 -174.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m -75.79 -37.2 59.42 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.546 -175.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.534 ' O ' HG13 ' A' ' 64' ' ' VAL . 11.1 m-30 -72.26 -36.47 69.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.921 0.391 . . . . 0.0 110.472 -178.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 13.3 pt20 -71.04 -27.99 64.05 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.052 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 59' ' ' ASP . 73.9 mt-30 -71.01 -33.54 70.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.9 177.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 61' ' ' PHE . 7.3 p -73.91 -25.43 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.002 176.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.552 ' HA ' HG23 ' A' ' 94' ' ' THR . 67.4 t -71.95 -28.05 29.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.392 0.615 . . . . 0.0 109.382 171.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 28.3 mtpp -78.08 -38.24 44.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.988 176.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.529 HD12 HD22 ' A' ' 72' ' ' LEU . 58.6 mt -73.05 -53.03 12.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.457 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.561 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 93.7 mttt 60.39 90.06 0.06 Allowed 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.803 0.689 . . . . 0.0 112.188 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.13 -22.02 21.45 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.044 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.511 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 8.1 tp-100 -94.14 140.9 29.17 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -77.23 124.55 35.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.32 0.581 . . . . 0.0 110.894 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.529 HD22 HD12 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -109.67 118.94 37.89 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 p -95.74 120.88 36.78 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.083 0.468 . . . . 0.0 110.789 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.425 HG22 HD21 ' A' ' 57' ' ' LEU . 6.3 p -124.21 131.64 72.55 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.643 0 CA-C-O 121.749 0.785 . . . . 0.0 110.529 178.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 10.0 ttt -107.91 120.72 43.07 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.78 -176.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.592 ' HE1' ' HG1' ' A' ' 90' ' ' THR . 11.1 p90 -148.66 178.46 8.62 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -175.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.557 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 62.9 mtt180 -111.72 120.85 43.4 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.589 177.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.64 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 3.3 t80 -86.17 148.54 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.694 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 33.8 ttp180 -84.77 109.33 17.99 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.558 177.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.663 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 31.4 t -57.09 166.13 1.15 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.771 174.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -65.3 -8.36 17.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.797 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -103.18 5.97 38.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.567 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 1.9 mp0 70.19 52.33 0.37 Allowed 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 122.69 1.233 . . . . 0.0 108.504 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.694 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -121.5 161.69 21.84 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 112.707 -2.042 . . . . 0.0 109.346 -171.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.422 ' CZ3' ' HA ' ' A' ' 50' ' ' HIS . 57.8 m95 -122.71 92.1 3.64 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.468 0.651 . . . . 0.0 111.23 -173.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.632 HD23 ' NE2' ' A' ' 118' ' ' GLN . 0.3 OUTLIER -102.77 159.27 15.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.495 -176.67 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -85.22 130.38 34.62 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -174.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.64 ' SD ' ' HB2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -145.38 140.26 27.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.253 168.351 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -100.92 118.72 37.5 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 171.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.592 ' HG1' ' HE1' ' A' ' 76' ' ' PHE . 84.8 m -96.4 132.01 42.36 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.888 -178.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.4 m -90.25 115.08 27.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.436 174.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.44 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 2.7 m -95.76 131.42 42.07 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.551 -176.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.475 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 58.7 t80 -137.81 134.46 35.2 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.561 ' OG1' ' HA ' ' A' ' 68' ' ' LYS . 0.7 OUTLIER -95.62 112.23 24.0 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.065 0.46 . . . . 0.0 110.086 177.067 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.475 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 0.8 OUTLIER -79.88 95.03 5.95 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.297 0.57 . . . . 0.0 111.005 -171.787 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.516 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 23.6 mt-30 -89.38 124.17 34.2 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.215 171.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -49.92 121.59 13.0 Favored Pre-proline 0 C--N 1.327 -0.386 0 O-C-N 123.992 0.808 . . . . 0.0 109.567 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -57.96 -19.04 38.11 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 123.16 2.573 . . . . 0.0 113.252 -175.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -122.15 19.51 10.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.813 0.34 . . . . 0.0 111.419 -175.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.2 m -148.79 -15.63 0.31 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 56.87 25.76 10.84 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.754 0.822 . . . . 0.0 113.112 176.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.516 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 11.4 pt-20 -110.61 158.5 18.5 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 54.5 mt -93.59 124.69 46.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.033 0.444 . . . . 0.0 110.614 -176.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -88.03 -39.07 14.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.218 176.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -173.85 -172.32 0.73 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.857 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.428 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 36.1 mt -107.59 148.74 11.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.677 178.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.545 HG12 ' HG2' ' A' ' 15' ' ' ARG . 57.8 mt -113.82 133.04 61.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 6.1 p -137.38 119.6 15.64 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.389 0.614 . . . . 0.0 111.888 -177.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.541 HG23 HG12 ' A' ' 13' ' ' ILE . 6.8 m -94.64 136.23 35.19 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 171.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -121.91 110.54 15.98 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.219 -171.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 32.5 m -105.64 123.0 47.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.615 -176.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -76.92 121.02 22.85 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 5.5 t -86.49 -112.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -138.04 173.06 12.03 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.27 -0.269 . . . . 0.0 111.519 -175.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 63.09 102.81 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 160.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.422 ' HB3' ' HA ' ' A' ' 86' ' ' LEU . 83.9 p -163.29 -71.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.173 166.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.0 t -168.03 27.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.432 0.634 . . . . 0.0 109.582 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.632 ' NE2' HD23 ' A' ' 86' ' ' LEU . 66.0 mm-40 -80.22 -31.14 38.62 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.104 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 . . . . . 0 C--O 1.248 1.007 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.826 178.149 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.635 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 37.4 Cg_exo . . . . . 0 CA--C 1.533 0.45 0 CA-C-O 120.645 0.186 . . . . 0.0 111.824 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -90.23 25.91 2.06 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.381 0.61 . . . . 0.0 111.525 -175.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.636 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 34.0 tt0 -134.93 134.9 41.1 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 172.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -131.65 159.43 38.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.188 0.518 . . . . 0.0 111.636 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.9 mm -117.94 135.91 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.455 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.7 m -140.62 143.06 35.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.969 0.414 . . . . 0.0 111.434 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -99.66 126.04 45.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 174.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.656 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -140.95 149.49 41.9 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.469 -0.892 . . . . 0.0 112.859 -175.793 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.812 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 2.6 t-20 -62.86 146.94 51.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 113.733 -1.576 . . . . 0.0 109.319 173.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.414 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 27.1 pt -56.58 -21.75 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -170.293 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -84.68 2.1 43.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.308 0.575 . . . . 0.0 110.357 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.82 5.04 45.12 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.807 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.812 ' HB ' ' HB3' ' A' ' 17' ' ' ASN . 43.8 mm -78.94 115.12 20.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 CA-C-N 116.874 0.337 . . . . 0.0 110.982 -173.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 93.0 m-85 -69.84 121.72 17.83 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.111 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 m -100.39 -38.26 8.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.406 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -146.96 128.24 14.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.195 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.586 HG21 ' HB2' ' A' ' 40' ' ' LEU . 85.5 t -124.87 136.88 59.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.585 -177.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -82.8 148.17 27.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.084 175.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -56.37 -15.71 4.49 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 -171.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.636 ' HD2' ' O ' ' A' ' 11' ' ' GLU . 84.6 mtm180 -64.75 -5.86 6.74 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 8.9 p -61.19 -35.28 76.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.437 176.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.9 t -68.2 -41.66 84.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.827 -176.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.56 -50.37 38.15 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.432 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.6 m -60.04 -55.06 38.63 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.517 HG11 ' CD1' ' A' ' 78' ' ' PHE . 11.5 m -137.69 26.48 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -170.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.71 -23.3 0.52 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 114.578 0.591 . . . . 0.0 114.578 173.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.462 ' HD1' ' HD3' ' A' ' 81' ' ' LYS . 10.7 m-30 -73.66 147.04 44.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.344 0.592 . . . . 0.0 110.827 -172.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -89.36 159.14 45.08 Favored Pre-proline 0 C--N 1.311 -1.104 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.616 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 52.9 Cg_exo -51.79 -46.52 31.58 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 121.605 1.537 . . . . 0.0 110.549 178.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.419 ' CD ' ' H ' ' A' ' 38' ' ' GLN . 24.2 mp0 -56.11 -37.12 68.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.233 -1.349 . . . . 0.0 111.504 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -63.14 -32.61 74.03 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.968 -172.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.586 ' HB2' HG21 ' A' ' 25' ' ' VAL . 3.0 mm? -85.59 -30.35 23.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.444 -178.163 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 55.3 mt -61.62 107.03 0.74 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.059 0.457 . . . . 0.0 111.575 -172.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.21 -5.49 33.89 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.135 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.887 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 11.0 mmpt? -106.82 154.08 21.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.632 0.253 . . . . 0.0 110.834 -179.156 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.614 ' HB3' HG12 ' A' ' 46' ' ' VAL . 10.0 m120 -84.0 137.21 33.72 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 170.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.497 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 13.9 tt -59.17 -20.46 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.159 0.505 . . . . 0.0 110.165 172.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.614 HG12 ' HB3' ' A' ' 44' ' ' ASN . 8.7 p -76.57 -15.49 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.589 ' HG3' ' HB2' ' A' ' 44' ' ' ASN . 46.1 mt-10 -74.21 -34.89 63.85 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.316 0.579 . . . . 0.0 109.926 176.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -101.33 11.78 38.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.235 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.421 ' SG ' ' HA ' ' A' ' 54' ' ' GLN . 52.5 t -89.51 139.17 30.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.409 177.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.886 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 17.4 t-80 -48.78 123.91 12.13 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.441 174.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.491 ' HA ' ' HG3' ' A' ' 54' ' ' GLN . 10.0 Cg_endo -52.56 -18.99 9.34 Favored 'Trans proline' 0 N--CA 1.478 0.565 0 C-N-CA 123.866 3.044 . . . . 0.0 114.662 -173.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -94.31 -6.41 44.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.15 -0.344 . . . . 0.0 111.383 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -124.25 3.66 8.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.862 0.363 . . . . 0.0 110.303 -175.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.491 ' HG3' ' HA ' ' A' ' 51' ' ' PRO . 79.0 mt-30 -63.6 -39.68 95.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.049 0.452 . . . . 0.0 110.615 -177.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -72.29 -32.74 66.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.461 176.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.5 tp -59.35 -44.26 92.68 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.283 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.432 HD21 ' CD1' ' A' ' 76' ' ' PHE . 14.5 mt -61.69 -46.41 89.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.551 174.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.576 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 66.4 ttt180 -56.92 -54.01 51.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.476 -177.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -55.44 -44.98 76.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.282 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.0 m -73.5 -35.32 65.62 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.306 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.47 ' O ' HG12 ' A' ' 64' ' ' VAL . 6.5 m-30 -66.36 -34.6 78.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.296 0.57 . . . . 0.0 109.793 177.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 89.1 mm-40 -65.55 -36.19 83.07 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.74 176.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -73.85 -32.71 63.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.609 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 61' ' ' PHE . 10.5 p -69.49 -29.2 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.529 175.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 61' ' ' PHE . 55.2 t -74.76 -21.5 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.374 0.607 . . . . 0.0 109.781 173.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.558 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 56.2 mtpt -79.46 -45.45 19.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.54 174.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 72' ' ' LEU . 73.6 mt -68.42 -50.86 49.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.005 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.476 ' HB3' ' OE1' ' A' ' 96' ' ' GLN . 97.3 mttt 61.93 98.46 0.03 OUTLIER 'General case' 0 C--O 1.236 0.386 0 O-C-N 123.988 0.805 . . . . 0.0 112.299 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.89 -17.91 53.55 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.277 176.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.445 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 5.8 tp-100 -91.8 137.61 32.22 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 92' ' ' SER . 4.6 p -76.69 120.54 27.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-O 121.45 0.643 . . . . 0.0 109.777 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 67' ' ' LEU . 16.0 tp -117.45 116.03 26.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.431 -175.086 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.414 ' HB2' ' HD2' ' A' ' 89' ' ' ARG . 59.3 p -89.38 125.21 35.05 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.08 0.467 . . . . 0.0 111.104 -174.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.7 p -126.01 133.27 69.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.527 0.68 . . . . 0.0 109.929 174.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.7 ttt -112.76 127.57 56.19 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.322 -173.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.432 ' CD1' HD21 ' A' ' 57' ' ' LEU . 11.7 p90 -152.28 179.22 8.72 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.299 -173.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.886 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 75.6 mtt180 -104.97 116.41 31.91 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 176.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.517 ' CD1' HG11 ' A' ' 33' ' ' VAL . 8.6 t80 -90.37 136.52 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.715 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 43.9 ttp180 -82.9 102.59 11.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.151 0.5 . . . . 0.0 110.815 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.717 ' HB3' ' HG2' ' A' ' 84' ' ' GLU . 48.4 t -62.64 175.17 0.84 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.866 174.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.462 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 44.7 tptt -70.81 3.08 3.49 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.438 0.637 . . . . 0.0 110.768 -178.445 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -106.94 7.07 29.77 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.503 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 2.3 mp0 61.69 31.77 18.53 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.138 -1.392 . . . . 0.0 109.816 176.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.717 ' HG2' ' HB3' ' A' ' 80' ' ' SER . 15.6 pt-20 -100.13 160.18 14.52 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 113.747 -1.57 . . . . 0.0 109.343 177.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.53 ' CH2' ' HD3' ' A' ' 79' ' ' ARG . 59.7 m95 -116.76 84.25 2.11 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.359 0.599 . . . . 0.0 110.306 -176.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.55 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -90.44 160.69 15.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.168 -176.071 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -85.83 112.31 20.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.281 0.563 . . . . 0.0 111.721 -173.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.619 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 1.4 ttp -125.94 139.32 53.54 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.532 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.414 ' HD2' ' HB2' ' A' ' 73' ' ' SER . 51.6 ttp180 -108.26 118.32 36.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.852 175.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.1 m -95.02 124.49 39.09 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.492 176.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.517 ' HB2' ' HB ' ' A' ' 109' ' ' THR . 68.1 m -92.0 118.71 31.04 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 172.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 6.3 m -91.51 132.9 35.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.891 -171.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -138.82 135.67 34.83 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.363 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.599 ' HB ' HD13 ' A' ' 103' ' ' ILE . 32.3 p -105.52 115.72 30.73 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 176.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -77.89 105.2 8.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.02 0.438 . . . . 0.0 109.946 -177.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.476 ' OE1' ' HB3' ' A' ' 68' ' ' LYS . 54.4 mt-30 . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.141 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.599 HD13 ' HB ' ' A' ' 94' ' ' THR . 90.8 mt . . . . . 0 CA--C 1.514 -0.408 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.469 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 5.6 pt-20 -82.95 -41.13 19.19 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.984 177.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -164.37 168.3 18.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.693 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.656 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 55.9 mt -99.39 147.57 7.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 174.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.6 mt -109.96 115.59 50.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 54.7 m -90.01 102.8 15.51 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.816 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.517 ' HB ' ' HB2' ' A' ' 91' ' ' SER . 46.9 m -90.09 109.63 20.68 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 168.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.619 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 6.0 m-20 -112.65 110.66 20.94 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.995 0.426 . . . . 0.0 110.865 -169.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.1 m -112.95 115.53 28.56 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.942 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -85.49 125.88 33.39 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.262 -175.913 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo . . . . . 0 CA--C 1.53 0.305 0 CA-C-O 120.763 0.235 . . . . 0.0 112.116 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.57 6.66 9.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.69 -176.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.801 ' HG2' ' HA ' ' A' ' 111' ' ' THR . 45.9 mt-10 -110.61 134.77 52.11 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 173.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -116.07 134.62 54.75 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.447 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 13' ' ' ILE . 4.5 mp -105.98 127.65 60.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.196 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.2 m -140.07 148.23 41.46 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.521 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -105.44 122.58 46.29 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.52 ' CE1' ' HB ' ' A' ' 106' ' ' ILE . 0.2 OUTLIER -131.33 152.62 50.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.72 0.771 . . . . 0.0 112.464 -172.885 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.61 148.81 51.12 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 113.596 -1.638 . . . . 0.0 109.656 178.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.2 pt -52.68 -21.48 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -170.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -87.12 -3.59 59.08 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.936 0.398 . . . . 0.0 110.783 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.79 13.79 28.78 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.916 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.3 mm -91.14 123.78 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 116.961 0.381 . . . . 0.0 111.039 -175.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.43 ' HE2' ' HA ' ' A' ' 45' ' ' ILE . 96.7 m-85 -74.65 120.33 20.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.888 0.375 . . . . 0.0 110.925 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.6 p -110.08 -30.41 7.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.079 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -139.07 119.84 14.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.195 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.8 t -127.5 135.94 61.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.748 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -89.21 150.93 22.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.158 0.504 . . . . 0.0 110.602 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.447 ' O ' HG22 ' A' ' 30' ' ' VAL . 72.9 m80 -54.63 -15.21 1.65 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -171.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -62.15 -12.06 17.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.967 0.413 . . . . 0.0 110.82 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 32.5 t -50.61 -40.04 51.7 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.954 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 27' ' ' HIS . 19.4 m -67.21 -34.38 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 111.612 -175.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.82 -51.9 29.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.681 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.439 HG23 ' HB2' ' A' ' 112' ' ' ASN . 3.3 m -69.13 -53.86 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.733 HG12 ' HE1' ' A' ' 88' ' ' MET . 18.4 m -123.75 9.76 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -168.369 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.2 -30.38 1.61 Allowed Glycine 0 CA--C 1.523 0.556 0 C-N-CA 120.666 -0.778 . . . . 0.0 113.94 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.471 ' HD1' ' HD3' ' A' ' 81' ' ' LYS . 22.9 m-85 -70.9 147.75 48.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.273 0.558 . . . . 0.0 111.276 -174.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.641 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 75.8 mm-40 -79.79 146.95 65.57 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 169.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.694 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 88.1 Cg_exo -46.48 -46.32 17.58 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 121.996 1.798 . . . . 0.0 111.357 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -54.94 -49.85 70.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.416 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.641 ' HG3' ' HB2' ' A' ' 36' ' ' GLN . 37.3 mt-10 -62.18 -29.23 70.22 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.948 -175.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 tp -83.89 -28.94 27.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.5 -177.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 75.1 mt -62.6 106.63 0.81 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.053 0.454 . . . . 0.0 110.913 178.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.91 -13.15 12.99 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.207 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.77 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -99.38 152.72 19.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.841 0.353 . . . . 0.0 110.276 177.287 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.585 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 9.4 t-20 -86.77 141.7 28.67 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 173.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.437 HG12 ' SG ' ' A' ' 49' ' ' CYS . 13.2 tt -55.95 -42.04 69.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.576 176.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.5 t -63.07 -25.02 37.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 122.842 0.457 . . . . 0.0 111.701 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.585 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 35.2 mm-40 -68.56 -29.6 68.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.48 0.657 . . . . 0.0 110.324 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -100.84 13.23 35.69 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.083 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.437 ' SG ' HG12 ' A' ' 45' ' ' ILE . 75.3 m -105.93 120.9 42.94 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.239 172.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.587 ' CD2' ' HB2' ' A' ' 77' ' ' ARG . 7.7 p80 -62.21 153.26 75.78 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.001 0.429 . . . . 0.0 111.195 -172.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 50' ' ' HIS . 33.8 Cg_exo -47.0 -54.16 5.35 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 124.329 3.353 . . . . 0.0 115.179 -160.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 1.9 pm0 -78.86 -4.93 52.1 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -170.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -102.25 -6.2 23.42 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.05 0.452 . . . . 0.0 109.943 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -65.96 -34.64 78.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.775 -177.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -66.58 -40.06 88.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.747 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.6 mt -57.17 -50.62 72.25 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.437 175.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.1 mt -62.81 -38.79 92.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.646 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.583 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 94.7 mtt180 -57.33 -58.84 6.5 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.785 176.458 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.628 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 9.0 t70 -61.46 -43.15 99.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.73 -176.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 63' ' ' GLN . 79.1 p -70.55 -41.69 72.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.231 0.538 . . . . 0.0 111.383 -174.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.47 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.0 m-85 -61.85 -35.23 77.67 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.948 174.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 32.1 mm-40 -65.39 -38.35 89.71 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 174.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.628 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 34.4 mm-40 -58.45 -48.88 79.3 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.34 179.22 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.644 HG11 ' OG ' ' A' ' 92' ' ' SER . 10.2 p -69.21 -25.32 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.191 -177.121 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.636 ' HA ' HG21 ' A' ' 94' ' ' THR . 57.0 t -71.71 -42.9 70.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.831 0.348 . . . . 0.0 110.202 177.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -77.52 -18.9 56.57 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.633 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 37.5 mt -73.65 -56.9 4.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.924 174.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.785 ' HG2' HD11 ' A' ' 103' ' ' ILE . 98.6 mttt 62.12 96.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.267 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.44 -6.34 57.59 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.927 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.514 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 27.6 mm-40 -103.09 137.99 40.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.591 0.234 . . . . 0.0 110.663 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 92' ' ' SER . 60.5 t -77.33 123.82 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.186 178.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -113.78 121.2 43.33 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -177.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.3 m -100.0 121.67 41.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.991 0.424 . . . . 0.0 110.905 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.4 p -134.23 136.67 52.96 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.752 0 CA-C-O 121.51 0.672 . . . . 0.0 110.214 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.6 ttt -113.06 134.08 54.69 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.751 -172.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.455 ' HE1' ' OG1' ' A' ' 90' ' ' THR . 30.0 p90 -155.61 179.77 8.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.482 -174.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.587 ' HB2' ' CD2' ' A' ' 50' ' ' HIS . 14.6 mtt180 -112.75 122.86 48.89 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 177.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.434 ' HD2' ' CE2' ' A' ' 76' ' ' PHE . 6.8 t80 -100.44 151.46 21.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.838 -175.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -90.29 115.57 27.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.633 0.254 . . . . 0.0 110.681 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.48 ' HB3' ' CG ' ' A' ' 84' ' ' GLU . 32.4 t -74.17 179.42 4.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.954 0.407 . . . . 0.0 111.038 177.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.471 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 22.2 tptm -68.37 -10.78 57.43 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.345 0.593 . . . . 0.0 110.304 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -99.08 6.74 46.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.673 -177.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 64.59 21.64 12.47 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.77 -178.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.48 ' CG ' ' HB3' ' A' ' 80' ' ' SER . 10.4 pt-20 -92.28 158.1 16.3 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.395 174.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.495 ' CE3' ' HB3' ' A' ' 50' ' ' HIS . 94.8 m95 -114.94 107.29 15.2 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.831 0.348 . . . . 0.0 110.404 -177.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -109.22 155.44 21.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.008 0.433 . . . . 0.0 111.868 -178.056 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -84.36 127.0 33.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.941 -176.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.733 ' HE1' HG12 ' A' ' 33' ' ' VAL . 18.1 ptp -145.39 150.47 36.61 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.23 0.538 . . . . 0.0 111.098 174.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -105.96 123.59 48.23 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.046 176.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 109' ' ' THR . 49.6 m -94.24 125.44 38.88 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.277 0.56 . . . . 0.0 110.702 175.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.2 m -96.05 112.28 24.06 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 172.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.644 ' OG ' HG11 ' A' ' 64' ' ' VAL . 7.0 t -94.7 156.14 16.54 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.593 0.711 . . . . 0.0 110.616 -175.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.495 ' HB3' ' HB ' ' A' ' 107' ' ' ILE . 60.2 t80 -155.95 134.14 11.44 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.206 -1.361 . . . . 0.0 107.877 175.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.641 ' HB ' HD13 ' A' ' 103' ' ' ILE . 2.5 p -104.17 108.43 19.81 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.158 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -76.48 110.51 11.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.926 -172.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.43 ' OE1' ' HD3' ' A' ' 68' ' ' LYS . 16.7 mt-30 . . . . . 0 N--CA 1.447 -0.624 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.611 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.785 HD11 ' HG2' ' A' ' 68' ' ' LYS . 89.3 mt . . . . . 0 CA--C 1.511 -0.531 0 CA-C-O 121.441 0.639 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.465 ' HG2' ' H ' ' A' ' 104' ' ' GLU . 3.7 pt-20 -76.55 -39.8 51.7 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.079 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.44 ' CD2' ' HG3' ' A' ' 104' ' ' GLU . 22.4 p90 -166.06 168.16 15.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.985 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.52 ' HB ' ' CE1' ' A' ' 16' ' ' HIS . 45.8 mt -98.88 145.63 9.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.778 175.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.495 ' HB ' ' HB3' ' A' ' 93' ' ' PHE . 52.4 mt -100.17 122.99 52.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 9.9 t -110.59 99.18 8.2 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.029 -174.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' A' ' 90' ' ' THR . 25.7 m -103.24 122.41 44.7 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 174.481 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 11' ' ' GLU . 4.1 m-20 -118.56 116.01 25.75 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.509 -172.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.801 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 23.1 m -94.92 119.49 33.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.925 -178.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.439 ' HB2' HG23 ' A' ' 32' ' ' THR . 2.9 t-20 -79.22 110.43 14.48 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.323 -0.574 0 CA-C-O 121.199 0.523 . . . . 0.0 110.095 -178.427 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.638 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 23.7 Cg_exo . . . . . 0 N--CA 1.464 -0.223 0 N-CA-C 110.885 -0.467 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.49 ' HB ' ' HB3' ' A' ' 112' ' ' ASN . 12.7 p -87.34 31.43 0.74 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.462 0.649 . . . . 0.0 111.909 -174.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 40.0 tt0 -131.31 132.93 44.88 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 168.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -137.62 142.02 41.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.024 0.44 . . . . 0.0 110.524 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.9 tt -94.68 137.97 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.397 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.2 p -136.84 135.8 38.23 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.624 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.484 ' HG2' HG12 ' A' ' 107' ' ' ILE . 91.1 mtt180 -112.17 133.63 54.19 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.592 ' HB3' ' HA ' ' A' ' 22' ' ' PHE . 1.3 p80 -148.2 165.77 29.93 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.494 0.664 . . . . 0.0 112.531 -173.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.61 153.15 35.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.643 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.542 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 42.6 pt -50.83 -30.71 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -167.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -69.98 -17.18 63.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.728 0.299 . . . . 0.0 111.029 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.81 12.95 13.3 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.218 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.2 mm -90.85 110.36 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.612 0.206 . . . . 0.0 110.567 -175.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.62 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 97.8 m-85 -68.6 135.08 50.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.96 0.41 . . . . 0.0 111.938 -173.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 p -118.54 -21.24 8.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.162 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -147.12 122.72 10.46 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.643 176.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 40' ' ' LEU . 94.2 t -130.89 136.81 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.777 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.404 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 13.1 t70 -86.29 148.22 25.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.176 0.513 . . . . 0.0 110.907 177.006 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.4 ' O ' HG22 ' A' ' 30' ' ' VAL . 56.7 m80 -50.89 -22.08 2.03 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.607 -1.179 . . . . 0.0 113.857 -175.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.638 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 74.4 mtt180 -66.01 -5.83 10.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.929 0.395 . . . . 0.0 111.714 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 18.8 p -63.77 -36.54 84.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.478 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 27' ' ' HIS . 32.8 m -63.0 -31.31 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 120.954 0.407 . . . . 0.0 110.941 -177.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.16 -51.95 8.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.706 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.446 HG23 ' HB2' ' A' ' 112' ' ' ASN . 2.7 m -60.13 -51.51 69.29 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 80' ' ' SER . 22.1 m -130.48 5.67 2.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -168.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.06 -34.39 3.23 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.08 -1.057 . . . . 0.0 113.696 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -72.12 144.68 48.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.957 0.408 . . . . 0.0 111.222 -175.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -89.38 162.77 35.99 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.694 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 82.0 Cg_exo -46.98 -51.8 8.74 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.248 1.965 . . . . 0.0 112.327 -178.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -62.02 -38.96 90.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.591 -178.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.93 -36.45 72.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.754 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.588 ' HG ' ' CD1' ' A' ' 22' ' ' PHE . 10.1 tp -88.77 -20.86 24.2 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.741 -174.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 64.1 mt -70.33 95.54 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.672 178.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 130.39 -25.95 4.21 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.934 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -107.79 136.15 48.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.915 0.388 . . . . 0.0 110.275 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.571 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 31.5 t-20 -73.33 143.85 46.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.068 -173.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.62 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 15.2 tt -61.76 -26.45 39.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.53 175.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.2 t -75.44 -24.63 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.481 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.571 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 40.9 mm-40 -68.42 -27.67 66.4 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.433 0.635 . . . . 0.0 109.724 175.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -108.38 14.0 25.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.24 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.585 ' SG ' HD12 ' A' ' 57' ' ' LEU . 20.5 t -89.53 132.9 34.84 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.014 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 25.4 t-80 -44.77 123.17 4.79 Favored Pre-proline 0 C--O 1.225 -0.21 0 O-C-N 123.786 0.679 . . . . 0.0 109.212 173.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.409 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 87.1 Cg_exo -49.03 -27.68 12.41 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.834 3.022 . . . . 0.0 114.432 -173.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -90.42 -5.14 56.47 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 122.369 -0.207 . . . . 0.0 111.368 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -109.69 -5.53 15.6 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -174.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.409 ' OE1' ' HA ' ' A' ' 51' ' ' PRO . 44.2 mt-30 -64.28 -36.62 84.68 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.576 -173.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -70.36 -37.75 74.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.288 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tt -62.2 -48.28 80.72 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.585 HD12 ' SG ' ' A' ' 49' ' ' CYS . 13.9 mt -61.92 -41.77 98.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.554 175.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.479 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 71.1 ttt180 -57.07 -53.06 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.748 0.309 . . . . 0.0 110.196 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.63 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 5.2 t0 -59.29 -48.32 82.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.589 -179.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.6 m -70.31 -33.52 71.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.237 -172.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.508 ' O ' HG23 ' A' ' 65' ' ' VAL . 12.4 m-30 -67.75 -38.37 83.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 18.8 mm-40 -65.16 -38.86 91.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.607 175.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.63 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 84.2 mm-40 -58.8 -52.04 67.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.661 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.495 HG11 ' HB3' ' A' ' 92' ' ' SER . 13.6 p -65.59 -29.41 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.13 -177.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.586 ' HA ' HG21 ' A' ' 94' ' ' THR . 81.7 t -69.5 -28.39 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.357 0.598 . . . . 0.0 110.03 176.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -82.53 -32.86 28.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.325 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 90.4 mt -70.72 -52.52 20.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.808 178.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.622 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 97.1 mttt 57.48 93.48 0.03 OUTLIER 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.677 0.751 . . . . 0.0 112.188 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.35 -24.11 16.61 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.275 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.482 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 6.3 tp-100 -86.28 129.26 34.91 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -178.166 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 92' ' ' SER . 51.8 t -77.7 110.87 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.658 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.432 HD13 ' CD1' ' A' ' 67' ' ' LEU . 15.4 tp -101.09 129.68 47.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.546 -173.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.3 m -90.25 121.81 32.61 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.787 0.327 . . . . 0.0 110.395 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.519 HG21 HD23 ' A' ' 57' ' ' LEU . 7.6 p -129.42 131.78 67.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.597 0.713 . . . . 0.0 110.1 174.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.3 ttt -113.72 131.42 56.19 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.168 -174.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.462 ' HE1' ' OG1' ' A' ' 90' ' ' THR . 8.0 p90 -160.07 178.73 9.39 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.922 -175.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.697 ' HB3' ' HB3' ' A' ' 85' ' ' TRP . 45.4 mtt180 -106.37 117.07 33.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.876 0.369 . . . . 0.0 111.014 176.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.54 ' O ' HD12 ' A' ' 86' ' ' LEU . 9.4 t80 -92.36 135.03 34.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.433 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 1.7 ttm180 -77.96 109.24 11.84 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.246 177.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.982 ' HB3' HD11 ' A' ' 86' ' ' LEU . 72.0 p -68.24 178.77 1.78 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.222 0.534 . . . . 0.0 111.347 176.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -75.39 1.84 12.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.127 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -108.49 8.86 27.53 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 68.34 11.74 8.47 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 114.486 -1.234 . . . . 0.0 112.115 177.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -101.11 149.8 23.59 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.697 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 22.4 m95 -103.52 105.4 15.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.215 -170.075 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.982 HD11 ' HB3' ' A' ' 80' ' ' SER . 0.0 OUTLIER -92.25 160.39 15.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.593 -174.631 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -88.69 118.22 28.22 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.013 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.451 ' HE1' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -132.05 144.94 51.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.074 174.844 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -104.45 110.32 22.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.653 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.462 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 75.8 m -94.5 131.43 40.23 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.627 -175.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 20.9 m -91.29 118.03 30.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.628 175.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.495 ' HB3' HG11 ' A' ' 64' ' ' VAL . 6.1 m -96.28 129.62 43.56 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.73 -177.095 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 85.3 t80 -139.46 135.76 33.9 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.689 174.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.717 ' HB ' HD12 ' A' ' 103' ' ' ILE . 38.6 p -104.66 109.07 20.85 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.534 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 3.5 t80 -73.38 105.03 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.939 0.399 . . . . 0.0 110.804 -173.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.612 ' HG2' HD13 ' A' ' 103' ' ' ILE . 55.2 mt-30 . . . . . 0 C--N 1.321 -0.653 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.231 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.717 HD12 ' HB ' ' A' ' 94' ' ' THR . 35.0 mm . . . . . 0 C--O 1.234 0.247 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -66.86 -43.45 83.56 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -177.9 177.7 1.04 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.521 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.542 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 58.6 mt -101.57 143.78 14.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 176.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.484 HG12 ' HG2' ' A' ' 15' ' ' ARG . 62.0 mt -119.78 112.82 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.426 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 87.5 m -114.36 111.78 22.02 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.611 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 90' ' ' THR . 26.0 m -87.65 131.46 34.44 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 173.347 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.497 ' O ' ' HA ' ' A' ' 11' ' ' GLU . 43.1 m-80 -118.12 112.8 20.66 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.491 -171.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.6 m -105.5 121.32 43.7 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.476 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.49 ' HB3' ' HB ' ' A' ' 10' ' ' THR . 66.2 t30 -82.12 122.59 28.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 19.0 t . . . . . 0 C--N 1.32 -0.701 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.616 -177.572 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo . . . . . 0 N--CA 1.472 0.251 0 CA-C-O 120.614 0.173 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.11 6.93 23.53 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -174.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -100.13 143.54 30.21 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 172.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -142.16 152.79 43.53 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.288 -0.965 . . . . 0.0 111.496 173.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.5 mm -112.56 128.42 69.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.092 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.5 m -141.86 150.26 41.34 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.038 0.447 . . . . 0.0 111.024 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -112.15 125.82 54.54 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -139.5 145.42 38.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.008 -177.204 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.638 ' OD1' ' HB ' ' A' ' 21' ' ' ILE . 23.9 p-10 -79.98 171.23 15.38 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -177.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.9 pt -56.89 -30.01 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -162.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.2 -1.15 39.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.16 0.505 . . . . 0.0 110.435 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.01 27.25 14.11 Favored Glycine 0 N--CA 1.439 -1.116 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.737 177.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.638 ' HB ' ' OD1' ' A' ' 17' ' ' ASN . 39.0 mm -95.63 119.36 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 117.228 0.514 . . . . 0.0 110.206 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.616 ' CE1' ' HB ' ' A' ' 45' ' ' ILE . 95.6 m-85 -79.35 123.88 27.9 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.907 0.384 . . . . 0.0 111.267 -176.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.1 p -105.13 -27.04 11.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.918 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -142.28 125.02 15.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.17 176.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.424 ' HB ' ' HB3' ' A' ' 37' ' ' PRO . 95.7 t -128.13 133.93 66.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -76.25 149.49 37.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.527 0.68 . . . . 0.0 110.991 175.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -54.51 -26.4 31.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.688 -1.142 . . . . 0.0 113.139 -171.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.5 mtt85 -70.61 -2.24 13.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.254 0.346 . . . . 0.0 111.806 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.4 t -56.99 -35.82 69.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.032 0.444 . . . . 0.0 110.476 174.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.595 HG12 ' HA ' ' A' ' 36' ' ' GLN . 5.1 m -70.72 -27.83 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.38 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.62 -50.1 19.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.815 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.7 m -68.26 -54.03 20.41 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.545 HG11 ' CD1' ' A' ' 78' ' ' PHE . 30.4 m -129.13 21.24 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -168.298 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 81' ' ' LYS . . . 72.63 -29.79 0.73 Allowed Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.889 -0.672 . . . . 0.0 114.521 174.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -71.46 138.17 48.81 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.271 0.558 . . . . 0.0 111.243 -175.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.595 ' HA ' HG12 ' A' ' 30' ' ' VAL . 54.0 mm-40 -76.42 152.87 83.78 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.805 173.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.729 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 82.7 Cg_exo -47.83 -48.38 16.22 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 121.827 1.685 . . . . 0.0 110.898 174.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -56.16 -44.37 79.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.018 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.438 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 9.8 mm-40 -59.46 -33.13 70.91 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.155 -176.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.507 ' HG ' ' CD1' ' A' ' 22' ' ' PHE . 12.3 tp -89.3 -25.06 21.86 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.061 -174.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.729 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 79.1 mt -62.78 112.17 2.43 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.205 0.526 . . . . 0.0 111.432 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.13 -10.71 37.03 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.667 177.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.436 ' HD3' ' HZ ' ' A' ' 48' ' ' PHE . 64.6 mttp -105.33 159.72 15.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.141 0.496 . . . . 0.0 110.987 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.509 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 15.7 m120 -89.06 130.43 35.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.685 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.616 ' HB ' ' CE1' ' A' ' 22' ' ' PHE . 13.0 tt -60.15 -24.62 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.324 174.014 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.7 t -70.3 -31.1 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.76 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.509 ' HG2' ' HB2' ' A' ' 44' ' ' ASN . 26.4 mm-40 -71.87 -31.12 66.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.11 0.481 . . . . 0.0 110.317 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.436 ' HZ ' ' HD3' ' A' ' 43' ' ' LYS . 71.1 m-85 -96.82 6.02 49.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.3 176.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 52.5 t -89.38 139.25 30.7 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.629 175.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 40.0 t-80 -44.55 125.61 4.86 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.849 175.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -50.53 -29.24 24.06 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 124.014 3.143 . . . . 0.0 114.298 -171.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -89.77 -5.25 57.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.96 0.409 . . . . 0.0 111.342 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -116.29 5.57 13.63 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -63.76 -47.62 80.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.52 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -66.93 -32.15 73.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.58 176.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -59.57 -46.53 88.65 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.443 HD21 ' CD1' ' A' ' 76' ' ' PHE . 11.3 mt -63.63 -49.76 72.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.008 175.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.601 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 74.7 ttt180 -52.16 -56.66 13.15 Favored 'General case' 0 CA--C 1.519 -0.234 0 O-C-N 123.41 0.444 . . . . 0.0 110.634 -177.264 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.759 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 29.6 t70 -55.27 -50.35 69.74 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.981 -179.108 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 m -68.19 -31.77 71.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.18 -171.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.469 ' O ' HG23 ' A' ' 65' ' ' VAL . 15.9 m-30 -70.89 -36.2 72.64 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.722 -0.474 . . . . 0.0 109.722 174.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.601 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 83.1 mm-40 -66.0 -36.74 84.1 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 176.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.759 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 20.2 mm-40 -61.7 -45.04 95.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.334 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.583 HG11 ' OG ' ' A' ' 92' ' ' SER . 14.5 p -70.87 -26.38 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.74 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.562 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 58.9 t -71.88 -27.84 28.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.339 0.59 . . . . 0.0 109.711 173.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 66.0 mttm -85.16 -22.98 28.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.255 175.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.712 HD11 HD23 ' A' ' 72' ' ' LEU . 35.8 mt -76.04 -52.48 10.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.621 175.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 96.7 mttt 49.08 80.54 0.06 Allowed 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.969 0.793 . . . . 0.0 111.798 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.58 -35.26 2.44 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.627 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.486 ' HB2' HD13 ' A' ' 67' ' ' LEU . 77.2 mt-30 -93.95 144.3 25.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -177.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.4 t -77.98 127.19 38.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.394 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.712 HD23 HD11 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -117.56 114.8 23.96 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.609 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.466 ' HA ' ' O ' ' A' ' 90' ' ' THR . 49.1 m -104.47 120.3 40.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.329 0.585 . . . . 0.0 110.715 -175.114 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.3 p -115.64 137.39 49.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.459 -177.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.4 ttt -111.23 126.47 54.91 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.732 -174.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.443 ' CD1' HD21 ' A' ' 57' ' ' LEU . 15.8 p90 -156.72 179.0 9.69 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.483 -172.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.678 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 64.7 mtp180 -109.7 114.11 27.43 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.174 0.511 . . . . 0.0 110.877 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.545 ' CD1' HG11 ' A' ' 33' ' ' VAL . 2.9 t80 -92.68 136.56 33.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.068 -176.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.515 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 21.9 ttm180 -79.12 119.16 21.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.484 0.659 . . . . 0.0 111.357 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.5 t -73.94 166.83 22.66 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.193 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.444 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . 48.3 tptt -69.39 -9.45 53.57 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.825 175.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -97.91 7.0 47.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 62.97 32.63 15.46 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.944 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.515 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 43.2 mt-10 -90.68 161.29 15.44 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.62 172.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -124.87 80.56 1.88 Allowed 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.678 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.1 pp -85.26 161.97 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.507 0.67 . . . . 0.0 112.213 -171.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.458 ' CZ2' ' HD2' ' A' ' 77' ' ' ARG . 89.2 m95 -94.2 117.58 30.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.01 -176.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 14.8 ptp -132.49 147.21 52.36 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.579 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -108.59 112.96 25.59 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 173.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 109' ' ' THR . 88.6 m -94.09 124.33 38.03 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.68 -178.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.6 m -91.39 120.3 32.13 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 176.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.583 ' OG ' HG11 ' A' ' 64' ' ' VAL . 7.9 t -96.33 157.11 16.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.563 0.696 . . . . 0.0 110.973 -173.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -158.54 134.83 9.27 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.306 -1.316 . . . . 0.0 108.256 175.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.502 HG22 HG12 ' A' ' 106' ' ' ILE . 73.9 p -107.45 108.24 19.49 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.115 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.44 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 2.4 t80 -72.33 118.82 15.7 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 . . . . . 0 C--N 1.32 -0.705 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.688 -174.75 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.461 HD13 ' HB ' ' A' ' 94' ' ' THR . 76.7 mt . . . . . 0 N--CA 1.446 -0.656 0 CA-C-O 121.401 0.62 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -73.11 -46.04 53.57 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.852 177.799 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -168.15 157.06 9.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.453 -1.249 . . . . 0.0 109.588 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.502 HG12 HG22 ' A' ' 94' ' ' THR . 66.8 mt -92.57 142.97 12.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 174.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 61.7 mt -111.55 106.42 20.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.9 p -98.0 112.57 24.46 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.183 0.516 . . . . 0.0 111.312 -173.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 90' ' ' THR . 47.1 m -86.31 127.65 34.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.449 174.111 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -103.14 117.55 34.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.818 -0.174 . . . . 0.0 110.978 -177.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.3 m -115.66 104.54 11.79 Favored 'General case' 0 N--CA 1.444 -0.747 0 O-C-N 124.244 0.965 . . . . 0.0 108.962 171.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -82.68 122.65 28.42 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.843 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.05 -178.085 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo . . . . . 0 CA--C 1.532 0.375 0 N-CA-C 113.449 0.519 . . . . 0.0 113.449 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.12 22.24 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.583 0.706 . . . . 0.0 110.618 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -133.87 133.71 41.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.354 176.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -133.8 141.22 47.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.226 0.536 . . . . 0.0 111.193 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.1 mt -100.11 132.69 45.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.493 175.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.9 p -136.56 149.25 47.99 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.229 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -109.63 134.84 51.48 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.625 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 1.4 p-80 -142.44 158.57 43.55 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.855 -178.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -74.49 151.89 39.47 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.41 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 20.7 pt -49.93 -26.62 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -166.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -74.24 -10.02 59.19 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.79 7.56 33.55 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.578 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.444 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 30.3 mm -85.25 118.55 32.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 110.577 -0.157 . . . . 0.0 110.577 -173.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -67.26 123.85 21.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 111.421 -176.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 p -107.51 -32.3 7.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.805 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -150.53 132.99 15.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.619 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.415 ' O ' ' HB3' ' A' ' 37' ' ' PRO . 90.6 t -129.55 138.48 54.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.657 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -78.6 149.01 33.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.287 175.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.409 ' O ' HG22 ' A' ' 30' ' ' VAL . 68.2 m80 -56.66 -20.64 22.48 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.801 -173.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -62.76 -7.16 4.46 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.901 0.381 . . . . 0.0 111.683 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.9 t -58.68 -37.11 75.34 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 176.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 27' ' ' HIS . 20.8 m -66.7 -35.51 74.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.943 -176.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.05 -50.93 14.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.45 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 m -54.53 -48.92 71.4 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.683 ' HB ' ' HA ' ' A' ' 80' ' ' SER . 13.2 m -132.28 -28.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -173.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.55 -20.93 11.9 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 119.521 -1.323 . . . . 0.0 112.826 -177.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.52 ' H ' HG23 ' A' ' 33' ' ' VAL . 16.1 m-85 -71.31 138.91 49.69 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.753 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 65.1 mm-40 -78.41 148.25 73.51 Favored Pre-proline 0 C--N 1.308 -1.211 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 171.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.494 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 88.0 Cg_exo -46.42 -44.85 20.07 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.167 1.911 . . . . 0.0 111.269 177.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -59.11 -38.49 79.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.484 -1.234 . . . . 0.0 111.527 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.753 ' HG3' ' HB2' ' A' ' 36' ' ' GLN . 41.8 mt-10 -67.52 -26.94 66.58 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.916 0.389 . . . . 0.0 110.936 -173.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.6 mt -79.71 -32.5 41.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.818 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 30.9 mt -64.93 108.39 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.513 -177.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.12 -22.92 7.43 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.668 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -108.94 177.9 4.63 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.699 0.761 . . . . 0.0 111.552 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.515 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 30.6 t-20 -110.69 145.95 37.1 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.537 -1.21 . . . . 0.0 109.549 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.7 tt -61.7 -24.4 33.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.289 176.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.6 t -71.73 -25.9 25.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.472 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.515 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 68.9 mm-40 -62.91 -35.25 79.45 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.32 0.581 . . . . 0.0 110.257 177.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -105.82 11.57 31.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.347 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.571 ' SG ' HD12 ' A' ' 57' ' ' LEU . 41.7 t -87.27 132.36 33.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.818 176.176 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.525 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 30.3 t-80 -45.35 125.78 5.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.741 174.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -49.78 -29.97 21.68 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.917 3.078 . . . . 0.0 114.316 -171.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -90.08 -5.44 56.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.026 0.441 . . . . 0.0 111.248 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -107.53 -5.75 17.39 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -175.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -61.17 -42.68 99.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.379 -175.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -36.07 79.78 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.8 tp -59.99 -51.67 68.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.173 178.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.571 HD12 ' SG ' ' A' ' 49' ' ' CYS . 13.1 mt -62.32 -44.38 96.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.936 175.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.596 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 70.8 ttt180 -56.57 -49.68 74.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.81 0.338 . . . . 0.0 110.38 -178.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.678 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 21.8 t70 -67.85 -38.98 83.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.742 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.4 p -65.89 -40.12 91.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.699 0.762 . . . . 0.0 110.307 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.609 ' O ' HG23 ' A' ' 65' ' ' VAL . 12.5 m-85 -64.72 -36.67 85.03 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.802 175.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 16.0 mm100 -65.35 -35.16 80.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.481 176.032 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.678 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 32.5 mm-40 -62.06 -51.51 67.69 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.455 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.97 -21.14 27.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.56 -176.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 61' ' ' PHE . 71.7 t -69.97 -42.7 79.67 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 CA-C-O 121.219 0.533 . . . . 0.0 109.868 176.207 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 63' ' ' GLN . 13.5 ptmm? -85.67 -18.51 32.97 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.569 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.625 HD12 HD23 ' A' ' 72' ' ' LEU . 47.7 mt -94.81 29.75 2.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.229 175.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 82.5 mttt -29.58 109.72 0.05 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.1 -19.14 35.43 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.665 175.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -95.35 139.55 31.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.8 0.333 . . . . 0.0 110.803 -177.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.2 t -78.37 117.34 23.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.168 177.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.625 HD23 HD12 ' A' ' 67' ' ' LEU . 1.2 tm? -101.47 115.55 30.77 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -176.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.4 p -93.06 121.03 33.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.699 0.285 . . . . 0.0 110.731 -177.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.1 p -130.57 135.74 59.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.801 0.81 . . . . 0.0 110.319 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 21.3 ttt -114.31 124.3 51.64 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.115 -174.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.45 ' HE1' ' OG1' ' A' ' 90' ' ' THR . 19.7 p90 -148.5 178.38 8.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -176.058 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.525 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 91.8 mtt180 -103.35 118.58 37.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.88 0.372 . . . . 0.0 110.8 176.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.624 ' CD1' HG11 ' A' ' 33' ' ' VAL . 8.6 t80 -91.75 137.12 32.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.512 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.427 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 6.2 ttm180 -81.34 108.51 15.02 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.233 176.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.712 ' HB3' HD11 ' A' ' 86' ' ' LEU . 90.1 p -63.79 -178.53 0.31 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.699 0.761 . . . . 0.0 112.117 174.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.445 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 21.8 tptm -76.87 -7.43 55.48 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.424 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -96.88 1.68 50.83 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.957 -1.02 . . . . 0.0 108.654 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 66.23 27.88 10.16 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.601 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -107.54 152.52 24.13 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.523 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 52.4 m95 -111.01 101.11 9.69 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.022 0.439 . . . . 0.0 110.753 -171.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.712 HD11 ' HB3' ' A' ' 80' ' ' SER . 0.0 OUTLIER -100.17 159.18 15.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.948 -177.531 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -71.52 124.34 24.44 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.415 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.637 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 2.8 tpp -133.58 124.56 27.1 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.729 174.13 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -97.87 111.66 23.87 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.45 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 98.3 m -94.37 127.52 40.31 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.196 0.522 . . . . 0.0 110.851 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.8 m -94.96 115.51 27.54 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.127 174.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.435 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 10.4 m -94.05 125.59 38.77 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.55 -174.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.534 ' HE2' ' HD1' ' A' ' 95' ' ' PHE . 60.0 t80 -124.54 135.02 52.83 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 171.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.466 ' HB ' HD13 ' A' ' 103' ' ' ILE . 1.1 p -99.58 110.0 22.47 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.117 0.484 . . . . 0.0 110.478 175.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.534 ' HD1' ' HE2' ' A' ' 93' ' ' PHE . 24.4 t80 -79.53 107.92 12.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.624 -174.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.507 ' HG2' HG12 ' A' ' 103' ' ' ILE . 53.0 mt-30 . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.736 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.573 HD11 ' HG2' ' A' ' 68' ' ' LYS . 71.2 mt . . . . . 0 N--CA 1.448 -0.563 0 CA-C-O 121.256 0.55 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.445 ' HG2' ' H ' ' A' ' 104' ' ' GLU . 1.6 mm-40 -67.42 -49.2 64.78 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.048 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.477 ' HB2' ' O ' ' A' ' 16' ' ' HIS . 2.8 p90 -179.03 -174.59 0.35 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.438 -1.255 . . . . 0.0 109.519 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.625 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 64.8 mt -101.08 139.91 21.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 57.8 mt -113.32 111.99 38.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.404 ' HB2' HG23 ' A' ' 90' ' ' THR . 6.1 p -112.23 119.53 38.67 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.279 0.561 . . . . 0.0 112.161 -173.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.9 m -88.37 130.03 35.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 170.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.637 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 35.0 m-80 -119.05 113.86 21.6 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.254 -171.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.2 m -112.59 114.11 26.58 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.805 -176.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -82.2 120.71 25.7 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.424 -178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 CA--C 1.538 0.497 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.651 -173.899 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.658 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 34.5 Cg_exo . . . . . 0 CA--C 1.53 0.316 0 N-CA-C 111.841 -0.1 . . . . 0.0 111.841 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 m -88.98 16.12 7.52 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.226 0.536 . . . . 0.0 111.749 -170.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.563 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 18.2 mt-10 -128.49 134.45 48.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 177.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 29' ' ' CYS . 37.8 p90 -133.3 139.37 46.84 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.99 178.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.2 tt -96.67 142.85 13.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.7 t -138.0 143.78 40.78 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.297 0.57 . . . . 0.0 111.025 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -112.53 115.79 29.2 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 172.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.465 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -128.96 162.53 27.37 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.734 0.778 . . . . 0.0 112.214 -172.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.02 146.16 47.84 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.257 -1.338 . . . . 0.0 108.485 177.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.7 pt -50.31 -23.68 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -170.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -79.84 -8.94 59.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.685 0.278 . . . . 0.0 111.222 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.65 11.02 31.78 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 121.003 -0.618 . . . . 0.0 111.973 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.465 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 43.5 mm -86.95 123.71 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -174.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -68.61 127.62 33.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.173 0.511 . . . . 0.0 111.26 -177.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.2 m -118.11 -40.95 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.995 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -133.27 121.83 23.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.328 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.2 t -131.77 138.71 52.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.743 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -85.73 148.26 25.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.273 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.45 ' HA ' ' CG ' ' A' ' 37' ' ' PRO . 47.3 m-70 -56.22 -17.4 7.36 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.658 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 49.0 mtm180 -62.2 -12.42 20.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.496 0.188 . . . . 0.0 111.424 176.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.486 ' HA ' ' CD1' ' A' ' 12' ' ' PHE . 43.8 t -53.01 -34.66 57.33 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.147 0.499 . . . . 0.0 111.615 174.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.0 t -65.35 -43.35 94.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.278 -177.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.53 -46.18 64.11 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.462 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.506 HG22 HG13 ' A' ' 33' ' ' VAL . 5.4 m -60.67 -58.02 10.22 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 177.253 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.506 HG13 HG22 ' A' ' 32' ' ' THR . 33.8 m -134.32 20.03 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -167.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.44 -23.55 1.91 Allowed Glycine 0 CA--C 1.521 0.408 0 N-CA-C 114.679 0.632 . . . . 0.0 114.679 172.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.43 ' CD2' HD21 ' A' ' 40' ' ' LEU . 22.8 m-85 -78.1 150.77 33.64 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 117.347 0.574 . . . . 0.0 110.831 -174.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.447 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 4.5 mm100 -91.07 144.45 29.99 Favored Pre-proline 0 C--N 1.312 -1.062 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 173.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.524 ' HB2' ' OE1' ' A' ' 38' ' ' GLN . 89.2 Cg_exo -46.19 -45.87 17.52 Favored 'Trans proline' 0 CA--C 1.519 -0.241 0 C-N-CA 122.319 2.012 . . . . 0.0 112.483 -176.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.524 ' OE1' ' HB2' ' A' ' 37' ' ' PRO . 4.3 mm100 -63.26 -34.45 77.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.108 -176.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.447 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 11.2 mm-40 -67.59 -28.06 67.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.711 -176.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.43 HD21 ' CD2' ' A' ' 35' ' ' TYR . 33.6 mt -80.85 -27.01 36.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.383 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.4 mt -63.88 106.46 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.089 0.471 . . . . 0.0 110.222 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.68 -18.64 9.2 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.656 -176.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.685 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 9.9 mmpt? -105.58 156.84 17.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.026 0.441 . . . . 0.0 110.751 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.429 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 29.2 t-20 -94.96 148.3 22.46 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.4 tt -62.29 -23.75 32.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.099 0.476 . . . . 0.0 109.923 174.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.481 HG13 ' HG3' ' A' ' 54' ' ' GLN . 97.7 t -71.48 -28.33 31.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.542 176.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.429 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 7.4 mm-40 -59.95 -36.29 76.77 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.499 0.666 . . . . 0.0 110.48 178.234 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -109.31 18.92 19.96 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.285 -177.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.43 ' SG ' HD12 ' A' ' 57' ' ' LEU . 42.2 t -92.84 135.48 34.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.231 177.061 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.857 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 37.7 t-80 -45.15 122.39 5.03 Favored Pre-proline 0 C--O 1.221 -0.424 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.026 174.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -49.43 -26.85 12.74 Favored 'Trans proline' 0 N--CA 1.478 0.618 0 C-N-CA 124.021 3.147 . . . . 0.0 114.548 -169.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.7 -4.59 58.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.692 0.282 . . . . 0.0 111.476 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -108.96 0.83 20.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.108 -172.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.481 ' HG3' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -53.13 -49.64 66.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.099 -179.176 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -73.7 -29.95 62.58 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.163 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.5 tp -58.72 -49.06 79.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.943 0.401 . . . . 0.0 110.3 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.51 HD21 ' CD1' ' A' ' 76' ' ' PHE . 13.1 mt -66.68 -49.43 66.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.609 175.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 46.2 ttt180 -54.62 -50.93 66.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -176.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.591 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 16.9 t70 -62.32 -43.38 98.95 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -177.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 55.5 m -71.38 -32.07 68.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.888 -175.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.55 ' O ' HG23 ' A' ' 65' ' ' VAL . 15.7 m-30 -69.85 -32.76 71.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 85.3 mm-40 -72.92 -29.22 62.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.992 176.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 81.1 mm-40 -61.34 -47.85 84.03 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.476 177.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.504 HG11 ' HB3' ' A' ' 92' ' ' SER . 7.4 p -71.08 -24.09 24.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.098 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 61' ' ' PHE . 85.8 t -71.88 -25.57 24.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 121.307 0.575 . . . . 0.0 109.679 173.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -82.75 -39.8 21.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.382 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.649 HD11 HD23 ' A' ' 72' ' ' LEU . 63.6 mt -67.57 -53.46 28.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.417 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.721 ' HG2' HD11 ' A' ' 103' ' ' ILE . 99.4 mttt 58.66 92.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.923 0.764 . . . . 0.0 112.001 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.25 -18.26 36.27 Favored Glycine 0 C--N 1.317 -0.509 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.622 176.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.509 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 11.0 mm100 -96.95 142.49 28.86 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.0 p -77.11 127.13 38.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.459 0.647 . . . . 0.0 110.928 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.649 HD23 HD11 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -120.76 113.57 20.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.037 178.905 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.5 t -101.79 120.5 40.47 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.068 0.461 . . . . 0.0 110.614 -173.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.4 p -121.72 137.23 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 CA-C-O 121.915 0.864 . . . . 0.0 110.579 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 22.3 ttt -113.92 128.55 56.44 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.506 -172.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.51 ' CD1' HD21 ' A' ' 57' ' ' LEU . 20.0 p90 -152.07 179.06 8.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.936 -175.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.857 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 60.2 mtt180 -99.58 116.78 32.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.165 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -94.08 129.98 40.42 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.419 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 3.4 ttm180 -77.23 100.2 5.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.945 0.402 . . . . 0.0 110.484 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.452 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 41.7 t -69.8 175.69 4.13 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.931 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -67.01 -15.13 63.53 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -170.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.459 ' HB2' ' OE1' ' A' ' 84' ' ' GLU . 11.8 m-80 -102.23 15.07 30.22 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 69.21 23.31 6.4 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.146 175.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.459 ' OE1' ' HB2' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -91.11 155.76 18.4 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.015 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.47 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 79.1 m95 -115.01 84.48 2.09 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.168 0.509 . . . . 0.0 109.66 -176.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.453 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.3 pp -87.81 162.02 17.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.969 -174.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -82.88 111.07 18.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.442 0.639 . . . . 0.0 111.103 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.7 ' HE1' ' HB3' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -122.26 133.3 54.7 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.554 -179.368 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -113.47 120.95 42.77 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.445 ' CG2' ' HB2' ' A' ' 108' ' ' CYS . 66.2 m -104.75 129.32 53.0 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.791 -177.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.498 ' OG ' ' HB ' ' A' ' 109' ' ' THR . 8.3 p -94.43 126.67 39.85 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.504 ' HB3' HG11 ' A' ' 64' ' ' VAL . 5.0 m -100.59 127.39 46.99 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.784 -173.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -127.54 134.18 49.77 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 170.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.59 ' HB ' HD13 ' A' ' 103' ' ' ILE . 2.2 p -105.56 114.33 28.43 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 120.819 0.342 . . . . 0.0 110.122 176.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -83.94 109.71 17.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.844 -174.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.541 174.587 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.721 HD11 ' HG2' ' A' ' 68' ' ' LYS . 91.4 mt . . . . . 0 N--CA 1.449 -0.483 0 CA-C-O 121.303 0.573 . . . . 0.0 110.047 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.463 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 5.7 pt-20 -75.66 -41.36 54.19 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -169.8 178.23 4.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.397 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.447 ' HB ' ' CE1' ' A' ' 16' ' ' HIS . 57.3 mt -104.26 139.11 26.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.798 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 64.5 mt -115.78 106.82 21.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.445 ' HB2' ' CG2' ' A' ' 90' ' ' THR . 28.0 p -115.1 137.86 51.54 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.978 0.418 . . . . 0.0 111.474 -173.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.498 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 23.2 m -96.45 125.35 40.88 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 170.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.7 ' HB3' ' HE1' ' A' ' 88' ' ' MET . 38.6 m-80 -106.12 111.23 23.76 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -174.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.5 m -117.47 126.73 53.11 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.288 -173.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.456 ' HB2' HG23 ' A' ' 32' ' ' THR . 4.5 t30 -84.43 114.63 22.05 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.616 177.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 C--N 1.321 -0.631 0 CA-C-O 121.324 0.583 . . . . 0.0 111.327 -174.248 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo . . . . . 0 CA--C 1.532 0.387 0 CA-C-O 120.665 0.194 . . . . 0.0 112.401 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.499 ' HB ' ' HB3' ' A' ' 112' ' ' ASN . 39.3 p -89.13 32.86 0.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.217 0.532 . . . . 0.0 111.657 -177.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 110' ' ' ASN . 25.1 tt0 -126.65 133.66 50.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 172.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -146.25 155.46 42.69 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.184 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.481 HG12 HG23 ' A' ' 109' ' ' THR . 57.5 mt -111.3 134.69 52.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.752 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.7 p -136.66 141.33 43.17 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.126 0.489 . . . . 0.0 111.165 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -109.54 126.75 53.89 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.426 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -145.68 150.45 36.32 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.007 -175.384 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -76.25 166.96 22.7 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.4 pt -56.63 -16.6 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 124.633 1.208 . . . . 0.0 114.014 -168.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -83.44 -15.6 49.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.051 0.453 . . . . 0.0 110.327 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.41 10.89 26.54 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.229 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.0 mm -89.49 123.06 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 116.884 0.342 . . . . 0.0 110.922 -171.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.439 ' CE1' ' HB ' ' A' ' 45' ' ' ILE . 88.2 m-85 -72.76 132.55 43.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 111.777 -176.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.1 p -119.76 -20.22 7.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.436 174.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -153.86 133.66 13.05 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.539 174.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.84 138.5 22.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.094 0.473 . . . . 0.0 111.021 177.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -70.3 148.68 48.22 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.334 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.421 ' HA ' ' CG ' ' A' ' 37' ' ' PRO . 70.8 m80 -62.8 -19.51 64.12 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.691 -172.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 -67.14 -6.43 17.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.578 0.228 . . . . 0.0 111.387 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.4 t -55.31 -41.21 72.08 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.067 0.46 . . . . 0.0 111.203 178.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.681 HG22 ' HA ' ' A' ' 36' ' ' GLN . 16.4 t -64.67 -37.37 79.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.196 0.522 . . . . 0.0 109.785 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.71 -50.83 39.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.045 -177.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.551 HG23 ' HB2' ' A' ' 112' ' ' ASN . 30.4 m -59.24 -52.92 63.6 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' A' ' 78' ' ' PHE . 35.9 m -125.63 -27.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -169.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.567 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 120.75 -20.71 8.65 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 118.973 -1.584 . . . . 0.0 113.452 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.557 ' H ' HG23 ' A' ' 33' ' ' VAL . 22.5 m-85 -81.19 136.45 35.86 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 120.802 0.334 . . . . 0.0 110.699 -178.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.734 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 44.7 mm-40 -76.48 149.21 81.13 Favored Pre-proline 0 C--N 1.311 -1.1 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 173.056 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.513 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 85.4 Cg_exo -48.26 -42.91 33.02 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.07 1.847 . . . . 0.0 110.949 175.012 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -55.78 -42.23 75.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.734 ' HG3' ' HB2' ' A' ' 36' ' ' GLN . 40.0 mt-10 -69.99 -23.96 63.23 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.329 -171.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 66.2 mt -86.13 -26.02 25.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.501 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 64.3 mt -62.92 106.78 0.87 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.261 0.553 . . . . 0.0 111.178 -176.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.2 -11.34 33.87 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.984 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.748 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 10.3 mmpt? -105.58 160.87 14.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.836 0.351 . . . . 0.0 110.409 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.539 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 20.9 t-20 -96.52 138.95 33.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.317 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.439 ' HB ' ' CE1' ' A' ' 22' ' ' PHE . 14.5 tt -62.32 -24.69 35.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.262 174.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.4 t -71.13 -25.74 26.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.475 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.539 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 19.2 mm-40 -67.88 -39.13 83.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.311 0.577 . . . . 0.0 110.643 177.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -100.15 19.66 16.01 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.218 -178.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.2 t -96.24 142.47 28.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.452 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.677 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 35.1 t-80 -47.38 127.62 9.96 Favored Pre-proline 0 C--N 1.332 -0.166 0 O-C-N 123.783 0.677 . . . . 0.0 109.809 172.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.456 ' HD2' ' CD2' ' A' ' 50' ' ' HIS . 7.3 Cg_endo -48.56 -44.52 30.23 Favored 'Trans proline' 0 N--CA 1.473 0.315 0 C-N-CA 123.559 2.84 . . . . 0.0 113.572 -169.246 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -77.08 -5.11 47.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.423 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 2.7 m-20 -110.74 -5.04 15.06 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -175.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -65.09 -36.48 84.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.127 -173.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -75.4 -29.93 59.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.949 0.404 . . . . 0.0 110.253 174.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.425 HD21 HG22 ' A' ' 74' ' ' VAL . 3.0 tt -63.28 -40.38 97.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.385 177.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 57' ' ' LEU . 15.1 mt -67.32 -45.36 76.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.99 175.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.468 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 59.3 mtt180 -58.68 -47.02 85.94 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.704 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.93 -43.79 94.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.443 -177.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.5 p -71.19 -47.53 56.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.377 0.608 . . . . 0.0 111.27 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.658 ' O ' HG12 ' A' ' 64' ' ' VAL . 9.1 m-85 -64.78 -36.55 84.69 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.904 -177.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 3.3 pt20 -73.75 -25.99 60.44 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.069 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.462 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 66.2 mt-30 -76.65 -28.67 56.11 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.651 177.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 61' ' ' PHE . 8.7 p -71.63 -26.68 26.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 119.396 -0.922 . . . . 0.0 109.289 173.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.824 ' HA ' HG21 ' A' ' 94' ' ' THR . 59.5 t -72.12 -28.63 29.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 121.243 0.544 . . . . 0.0 109.587 172.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 55.4 mtpt -78.8 -38.27 38.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.651 175.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.559 ' HB3' ' HB3' ' A' ' 70' ' ' GLN . 69.5 mt -67.84 -52.06 41.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.084 178.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.723 ' HG2' HD11 ' A' ' 103' ' ' ILE . 89.3 mttt 62.36 99.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.814 0.696 . . . . 0.0 112.124 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.97 -11.44 65.96 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.773 176.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.559 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 51.0 tp60 -98.06 138.62 35.1 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.555 ' HA ' ' O ' ' A' ' 92' ' ' SER . 96.8 t -76.8 118.76 23.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.216 0.531 . . . . 0.0 111.086 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.504 HD23 HD12 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -99.67 114.13 27.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.421 -0.808 . . . . 0.0 108.92 -179.719 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.9 p -96.45 120.91 37.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.173 0.511 . . . . 0.0 110.508 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.425 HG22 HD21 ' A' ' 56' ' ' LEU . 14.7 p -138.74 138.06 42.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.89 0.853 . . . . 0.0 110.695 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 15.2 ttt -113.17 137.31 51.65 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.147 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -161.7 178.6 8.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.995 -176.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.677 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 13.6 mtp180 -107.47 116.29 31.68 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.172 0.511 . . . . 0.0 110.46 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.571 ' CD1' HG11 ' A' ' 33' ' ' VAL . 14.0 t80 -89.46 145.5 25.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.055 -178.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.637 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 47.6 ttp180 -84.03 110.22 18.28 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.67 0.748 . . . . 0.0 111.553 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.6 ' HB3' ' HB2' ' A' ' 84' ' ' GLU . 18.8 t -54.87 159.85 2.16 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.051 170.369 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.567 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 22.4 tptm -66.26 -9.88 36.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.716 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -102.99 13.26 34.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 64.71 45.61 3.38 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.107 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.637 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 26.1 mt-10 -108.94 160.97 15.58 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.349 177.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -113.09 95.06 5.19 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 120.843 0.354 . . . . 0.0 110.109 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.553 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.3 pp -98.19 159.71 14.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.134 0.492 . . . . 0.0 111.803 -177.119 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -90.32 127.02 36.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.799 -174.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.8 ptp -143.34 152.02 41.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.444 171.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -115.97 117.51 30.35 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 174.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.43 ' CG2' ' HB2' ' A' ' 108' ' ' CYS . 89.2 m -100.86 135.28 42.56 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.181 -174.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.589 ' OG ' ' HB ' ' A' ' 109' ' ' THR . 33.4 p -104.03 121.17 42.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.555 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 3.8 m -100.68 137.29 39.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.334 -173.067 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -130.31 143.27 50.67 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 171.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.824 HG21 ' HA ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -111.24 119.03 37.56 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 120.834 0.35 . . . . 0.0 110.563 177.19 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -77.52 100.07 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.729 -174.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.659 174.271 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.733 HD12 ' HB ' ' A' ' 94' ' ' THR . 48.3 mm . . . . . 0 CA--C 1.517 -0.302 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -65.96 -50.53 64.02 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.77 0.795 . . . . 0.0 109.269 174.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -174.95 177.23 2.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 113.955 -1.475 . . . . 0.0 108.83 -176.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.426 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 52.3 mt -96.89 145.23 9.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 58.6 mt -120.69 106.75 19.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.43 ' HB2' ' CG2' ' A' ' 90' ' ' THR . 1.8 p -105.08 113.13 26.54 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.27 0.557 . . . . 0.0 111.148 -174.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.589 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 8.4 m -85.74 134.68 33.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.855 174.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.425 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 0.4 OUTLIER -110.81 131.96 54.61 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.532 -171.671 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 90.5 m -126.1 109.69 12.66 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.84 172.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.551 ' HB2' HG23 ' A' ' 32' ' ' THR . 2.6 t-20 -82.89 119.47 24.44 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.142 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.206 -175.922 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo . . . . . 0 CA--C 1.532 0.394 0 CA-C-O 121.062 0.359 . . . . 0.0 112.701 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.439 ' HB ' ' HB3' ' A' ' 112' ' ' ASN . 0.8 OUTLIER -87.69 30.26 0.83 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.258 -176.662 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.576 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 50.3 mt-10 -132.46 134.26 44.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -131.31 151.47 51.47 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.652 176.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.4 mt -97.72 118.59 44.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.281 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.5 p -115.33 121.36 42.59 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.157 0.503 . . . . 0.0 110.358 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.543 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 29.9 mtm180 -102.49 113.23 26.4 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 175.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.406 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -131.5 147.29 52.53 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.596 -172.389 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -68.49 153.8 43.06 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.3 pt -51.07 -24.02 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 124.312 1.008 . . . . 0.0 113.39 -167.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' HB2' HG12 ' A' ' 21' ' ' ILE . 26.2 mt-10 -67.25 -19.89 65.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.076 0.465 . . . . 0.0 111.058 177.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.62 2.53 30.74 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.018 -173.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.405 HG12 ' HB2' ' A' ' 19' ' ' GLU . 40.0 mm -82.52 122.46 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 111.51 0.189 . . . . 0.0 111.51 -171.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.498 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 91.5 m-85 -76.28 120.04 20.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.748 0.309 . . . . 0.0 111.067 -177.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.2 t -118.07 -13.76 9.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.512 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.543 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 82.5 t80 -147.39 118.02 7.52 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 173.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.576 HG21 ' HB3' ' A' ' 40' ' ' LEU . 94.2 t -122.33 131.71 72.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.918 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -74.29 147.68 42.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.692 174.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.53 ' HA ' ' HG3' ' A' ' 37' ' ' PRO . 31.3 m80 -66.84 -15.49 63.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.231 -168.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.7 mtt85 -70.79 -3.89 21.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.948 0.404 . . . . 0.0 111.107 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.2 p -62.87 -35.76 81.06 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.029 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.595 HG12 ' HA ' ' A' ' 36' ' ' GLN . 9.7 m -59.99 -40.29 82.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.541 -179.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.41 -50.51 15.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.427 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.495 HG23 ' HB2' ' A' ' 112' ' ' ASN . 23.4 m -52.19 -54.45 30.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.783 177.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.619 HG11 ' CD1' ' A' ' 78' ' ' PHE . 17.1 m -127.64 -28.67 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -171.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.539 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 117.49 -21.71 10.53 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 119.413 -1.375 . . . . 0.0 113.212 -177.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.517 ' H ' HG23 ' A' ' 33' ' ' VAL . 22.2 m-85 -71.64 142.61 49.93 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.595 ' HA ' HG12 ' A' ' 30' ' ' VAL . 5.0 mm100 -86.45 161.12 49.45 Favored Pre-proline 0 C--N 1.312 -1.058 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 172.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.726 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 72.6 Cg_exo -49.42 -50.48 12.91 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.529 1.486 . . . . 0.0 110.04 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -58.05 -46.14 85.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.301 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.491 ' OE1' ' HG2' ' A' ' 36' ' ' GLN . 66.6 mt-10 -64.86 -26.74 68.46 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.613 0.244 . . . . 0.0 111.291 -174.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.576 ' HB3' HG21 ' A' ' 25' ' ' VAL . 18.7 tp -88.94 -25.95 21.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.855 0.359 . . . . 0.0 110.75 -177.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.726 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 88.7 mt -62.25 121.47 13.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.397 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.63 -5.84 40.88 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.946 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 9.0 mmpt? -108.69 156.52 19.48 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.557 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 31.1 t-20 -97.46 144.97 26.66 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 175.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.498 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 14.2 tt -60.71 -32.77 52.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 177.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.46 ' HA ' ' CB ' ' A' ' 49' ' ' CYS . 9.7 p -68.19 -22.7 27.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 120.761 0.315 . . . . 0.0 111.195 177.099 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.557 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 22.7 mm-40 -71.83 -31.58 66.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.383 0.611 . . . . 0.0 110.401 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -106.57 19.48 20.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.52 175.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.462 ' SG ' ' HA ' ' A' ' 54' ' ' GLN . 36.0 t -93.97 132.13 38.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.445 177.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.555 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 16.4 t-80 -48.17 126.89 12.1 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.211 175.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.23 -29.17 28.52 Favored 'Trans proline' 0 N--CA 1.479 0.647 0 C-N-CA 123.949 3.099 . . . . 0.0 114.372 -171.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -84.22 -8.49 59.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.06 0.457 . . . . 0.0 110.717 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.577 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 4.5 m-20 -120.82 1.32 10.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.71 -170.082 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.462 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 87.8 mt-30 -60.29 -42.01 94.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.242 -177.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.497 ' OE1' ' HD2' ' A' ' 58' ' ' ARG . 13.4 mm100 -73.34 -28.36 62.02 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.856 176.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.577 ' HB3' ' O ' ' A' ' 53' ' ' ASP . 17.1 tp -58.41 -43.83 88.79 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.104 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.505 HD23 ' O ' ' A' ' 53' ' ' ASP . 4.3 mm? -62.41 -54.45 40.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.917 177.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.57 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 69.3 mtt180 -60.52 -46.71 89.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.413 -175.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.639 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 33.3 t70 -60.37 -46.2 90.81 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.189 0.519 . . . . 0.0 110.548 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.0 m -67.12 -35.27 79.39 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.659 -176.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.536 ' O ' HG23 ' A' ' 65' ' ' VAL . 14.2 m-30 -70.3 -32.11 69.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.161 175.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 84.3 mm-40 -67.11 -39.31 86.68 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.639 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 73.0 mm-40 -65.55 -42.89 91.36 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.294 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.549 HG11 ' OG ' ' A' ' 92' ' ' SER . 11.6 p -70.97 -25.13 25.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.83 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 61' ' ' PHE . 74.4 t -72.71 -29.29 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.384 0.611 . . . . 0.0 109.631 173.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 63.4 mttm -76.89 -29.46 55.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.836 173.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.837 ' HB3' ' HB2' ' A' ' 70' ' ' GLN . 37.9 mt -74.78 -58.16 3.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.191 178.368 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 99.0 mttt 58.78 98.28 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.8 0.688 . . . . 0.0 111.635 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.71 -20.05 47.69 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.529 -0.844 . . . . 0.0 112.607 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.837 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 2.8 mp0 -87.86 134.14 33.76 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.5 t -76.84 116.02 19.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.2 tt -116.43 130.74 56.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.962 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.9 m -105.18 122.65 46.35 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.856 0.36 . . . . 0.0 111.299 -174.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.7 p -121.59 134.98 63.2 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.78 0 CA-C-O 121.588 0.709 . . . . 0.0 109.789 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 27.6 ttt -119.67 124.32 45.98 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.39 -173.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.476 ' CG ' HD21 ' A' ' 57' ' ' LEU . 10.4 p90 -151.29 179.94 7.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.064 -170.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.555 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 76.6 mtp180 -106.5 119.52 39.49 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.79 0.329 . . . . 0.0 110.523 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.619 ' CD1' HG11 ' A' ' 33' ' ' VAL . 20.4 t80 -96.71 144.11 27.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.037 -176.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 3.9 ttm180 -83.07 104.67 13.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.102 0.477 . . . . 0.0 110.502 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.567 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -65.25 173.22 2.63 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.001 174.722 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.539 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 18.3 tptm -73.17 -3.35 26.08 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.536 0.684 . . . . 0.0 110.916 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.488 ' OD1' ' HB2' ' A' ' 80' ' ' SER . 18.4 p30 -103.52 7.73 37.77 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.97 176.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 68.54 14.97 9.14 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 114.249 -1.342 . . . . 0.0 112.205 176.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 56.3 mm-40 -88.25 166.47 14.31 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 171.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.588 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 37.3 m95 -124.19 87.45 2.73 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -173.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -89.67 160.8 16.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.352 0.596 . . . . 0.0 111.921 -173.866 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -83.09 121.39 26.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.391 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 11.0 ptp -132.16 143.59 50.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.248 0.547 . . . . 0.0 110.715 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -99.35 110.11 22.65 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.839 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 109' ' ' THR . 49.0 m -101.69 125.54 48.37 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.838 0.351 . . . . 0.0 111.093 -177.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.557 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 14.6 p -94.87 130.82 41.31 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.549 ' OG ' HG11 ' A' ' 64' ' ' VAL . 8.6 t -104.88 155.94 18.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.498 0.666 . . . . 0.0 110.936 -176.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 45.1 t80 -159.7 134.57 7.94 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.332 -1.304 . . . . 0.0 108.601 177.237 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.69 ' HB ' HD12 ' A' ' 103' ' ' ILE . 75.5 p -96.74 110.56 23.0 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.551 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 33.4 t80 -72.6 102.83 3.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.151 0.501 . . . . 0.0 110.38 -175.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.016 -179.402 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.69 HD12 ' HB ' ' A' ' 94' ' ' THR . 40.7 mm . . . . . 0 CA--C 1.513 -0.472 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -61.86 -42.48 99.11 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.706 0.765 . . . . 0.0 109.698 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -178.97 176.86 0.87 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.958 -1.474 . . . . 0.0 109.099 -175.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.406 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 56.1 mt -98.71 140.6 18.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 175.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 57.3 mt -114.65 107.0 21.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 91' ' ' SER . 89.2 m -112.81 135.29 53.72 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.207 0.527 . . . . 0.0 111.78 -175.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 90' ' ' THR . 52.8 m -99.65 130.64 45.89 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 170.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.576 ' O ' ' HA ' ' A' ' 11' ' ' GLU . 16.7 m120 -108.63 110.28 21.69 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -175.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.571 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 81.0 m -106.71 105.15 15.04 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.096 -176.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.495 ' HB2' HG23 ' A' ' 32' ' ' THR . 1.9 t-20 -74.54 116.27 15.03 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.9 t . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.255 -176.389 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 33.5 Cg_exo . . . . . 0 CA--C 1.533 0.429 0 CA-C-O 120.715 0.215 . . . . 0.0 112.588 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 p -86.09 17.6 3.5 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -173.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.885 ' HG2' ' HA ' ' A' ' 111' ' ' THR . 45.7 mt-10 -124.77 133.48 53.13 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 173.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -131.69 154.96 48.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.894 0.378 . . . . 0.0 110.512 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.4 mt -99.44 120.1 48.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.736 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.5 p -106.17 113.65 27.3 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 121.471 0.653 . . . . 0.0 110.305 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.567 ' HB3' ' HB3' ' A' ' 24' ' ' PHE . 38.0 ttt180 -97.01 103.91 15.88 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 178.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -135.91 156.73 48.32 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.361 0.601 . . . . 0.0 112.38 -168.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -85.26 160.05 19.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.269 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.477 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 48.3 pt -57.63 -15.69 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -167.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -83.45 -2.23 55.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.158 0.504 . . . . 0.0 110.236 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 44' ' ' ASN . . . 93.18 10.29 59.76 Favored Glycine 0 N--CA 1.442 -0.962 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -178.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.7 mm -82.63 117.72 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 O-C-N 123.528 0.193 . . . . 0.0 110.692 -174.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.415 ' CD2' ' HG ' ' A' ' 40' ' ' LEU . 97.1 m-85 -75.56 113.4 12.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.641 0.258 . . . . 0.0 110.463 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.1 p -97.65 -32.68 11.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.662 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.567 ' HB3' ' HB3' ' A' ' 15' ' ' ARG . 87.1 t80 -139.77 124.39 18.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.348 175.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.401 HG21 HD23 ' A' ' 40' ' ' LEU . 94.6 t -124.89 133.45 69.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.058 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -73.5 147.76 43.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.375 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.513 ' HA ' ' HG3' ' A' ' 37' ' ' PRO . 98.8 m-70 -60.35 -17.5 43.72 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -173.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.524 ' HD2' ' O ' ' A' ' 11' ' ' GLU . 67.5 mtm180 -68.15 -7.26 28.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.635 0.255 . . . . 0.0 111.502 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.6 p -57.5 -34.69 69.34 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.171 0.51 . . . . 0.0 111.313 176.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.704 HG12 ' HA ' ' A' ' 36' ' ' GLN . 4.7 m -66.58 -34.91 73.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.258 -178.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.04 -51.38 9.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.093 -176.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.457 HG23 ' HB2' ' A' ' 112' ' ' ASN . 24.5 m -53.78 -47.28 70.93 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 178.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.711 HG11 ' CD1' ' A' ' 78' ' ' PHE . 16.6 m -131.18 -34.01 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -173.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.2 -11.54 9.85 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 119.158 -1.496 . . . . 0.0 113.812 -177.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.503 ' H ' HG23 ' A' ' 33' ' ' VAL . 24.2 m-85 -82.47 137.27 34.71 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 117.444 0.622 . . . . 0.0 110.019 178.145 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.704 ' HA ' HG12 ' A' ' 30' ' ' VAL . 4.3 mm100 -83.73 154.83 65.19 Favored Pre-proline 0 C--N 1.314 -0.952 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 177.215 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.634 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 84.7 Cg_exo -46.99 -51.41 9.34 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.687 2.258 . . . . 0.0 112.176 -174.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -64.79 -37.46 87.69 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.707 -176.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -68.01 -26.39 65.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.947 0.404 . . . . 0.0 110.654 -174.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.415 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 18.3 tp -86.18 -27.23 24.67 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.348 -178.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 68.2 mt -62.3 116.37 4.98 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.78 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.4 -6.68 36.42 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.596 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.724 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -103.09 156.09 17.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.77 0.319 . . . . 0.0 110.591 177.827 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.619 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 10.0 m120 -89.72 144.5 25.93 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 174.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.8 tt -62.82 -20.48 25.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.429 173.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.435 HG13 ' HG2' ' A' ' 54' ' ' GLN . 61.6 t -76.75 -29.28 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.667 179.327 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.619 ' HG2' ' HB2' ' A' ' 44' ' ' ASN . 17.0 mm-40 -62.79 -31.19 72.11 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.581 0.705 . . . . 0.0 110.093 176.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -109.21 21.3 17.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.778 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.541 ' SG ' HD12 ' A' ' 57' ' ' LEU . 35.0 t -99.21 131.79 44.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.971 176.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.522 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 19.1 t-80 -44.98 122.46 4.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.82 175.148 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.403 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 76.7 Cg_exo -51.87 -24.34 18.52 Favored 'Trans proline' 0 N--CA 1.477 0.505 0 C-N-CA 123.662 2.908 . . . . 0.0 114.258 -172.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -93.84 -5.08 48.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.927 0.394 . . . . 0.0 110.912 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -112.27 3.77 17.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -173.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.435 ' HG2' HG13 ' A' ' 46' ' ' VAL . 66.1 mt-30 -67.02 -43.17 83.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.787 -173.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -72.07 -29.93 64.63 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.3 tp -59.12 -47.94 83.41 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.766 175.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.541 HD12 ' SG ' ' A' ' 49' ' ' CYS . 12.7 mt -66.33 -47.96 71.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.846 174.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.475 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 68.1 ttt180 -53.4 -55.53 24.27 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.452 0.47 . . . . 0.0 110.954 -176.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.648 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 21.4 t70 -56.27 -46.72 79.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.326 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.3 m -69.2 -31.65 70.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.213 -174.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.493 ' O ' HG23 ' A' ' 65' ' ' VAL . 15.0 m-30 -70.89 -33.3 70.45 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 175.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 18.0 mm-40 -69.14 -39.64 78.72 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.7 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 83.5 mm-40 -58.78 -47.89 83.15 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.588 178.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.516 HG21 ' HB2' ' A' ' 92' ' ' SER . 9.1 p -71.33 -20.6 21.33 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.576 -177.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 61' ' ' PHE . 54.6 t -71.5 -26.2 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.83 0.824 . . . . 0.0 109.446 171.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -87.66 -55.92 3.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.156 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 3.9 pp -90.31 9.15 29.94 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -172.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.425 ' HE2' ' NE2' ' A' ' 96' ' ' GLN . 0.2 OUTLIER -42.52 140.45 1.25 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.849 173.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.17 -32.0 7.21 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 108.499 -1.84 . . . . 0.0 108.499 -166.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -105.5 139.87 39.46 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 169.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.4 t -76.58 123.8 33.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.956 0.408 . . . . 0.0 110.045 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.465 HD23 HD11 ' A' ' 67' ' ' LEU . 1.6 tm? -103.93 116.69 32.72 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -176.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.404 ' HB3' ' HD2' ' A' ' 89' ' ' ARG . 27.6 m -100.64 120.83 40.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.825 0.345 . . . . 0.0 110.186 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.7 p -121.84 137.26 56.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 121.547 0.689 . . . . 0.0 110.231 178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.7 ttt -109.46 132.81 53.79 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.943 -175.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.479 ' HE1' ' OG1' ' A' ' 90' ' ' THR . 14.6 p90 -160.16 178.21 9.89 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 123.407 0.442 . . . . 0.0 109.921 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.626 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 51.3 mtp180 -108.1 117.97 35.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.903 0.382 . . . . 0.0 110.547 -179.011 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.711 ' CD1' HG11 ' A' ' 33' ' ' VAL . 13.0 t80 -94.82 147.79 22.98 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.843 -175.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -83.05 105.66 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.202 0.525 . . . . 0.0 111.322 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.435 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 34.3 t -58.46 161.21 4.65 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.529 168.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -65.21 -10.95 35.86 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.262 0.553 . . . . 0.0 110.677 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.411 ' HB2' ' OE1' ' A' ' 84' ' ' GLU . 14.1 m-80 -97.74 7.79 45.8 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 65.94 32.64 8.39 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.411 ' OE1' ' HB2' ' A' ' 82' ' ' ASN . 36.5 mt-10 -99.18 156.28 17.04 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.087 -0.96 . . . . 0.0 108.891 173.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -119.63 94.52 4.43 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 121.157 0.503 . . . . 0.0 110.153 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.626 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.7 pp -100.37 168.61 9.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.376 -174.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.429 ' HB3' HG23 ' A' ' 113' ' ' VAL . 71.6 m95 -89.56 130.67 35.84 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.608 -176.164 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.521 ' HA ' HG22 ' A' ' 113' ' ' VAL . 10.3 ptp -140.66 139.39 34.8 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.019 0.438 . . . . 0.0 110.873 169.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HD2' ' HB3' ' A' ' 73' ' ' SER . 10.1 ttp180 -95.64 115.06 26.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.177 175.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.479 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 58.8 m -96.44 125.08 40.68 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.918 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.543 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 19.2 m -97.09 122.09 39.71 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 176.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.516 ' HB2' HG21 ' A' ' 64' ' ' VAL . 2.5 m -111.84 144.5 41.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.317 0.579 . . . . 0.0 112.115 -172.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.485 ' CE1' ' HA ' ' A' ' 95' ' ' PHE . 16.7 t80 -145.73 134.65 22.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.56 168.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.462 ' HB ' HD13 ' A' ' 103' ' ' ILE . 21.7 p -98.87 121.37 40.74 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.485 ' HA ' ' CE1' ' A' ' 93' ' ' PHE . 4.2 t80 -76.9 104.12 7.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.169 0.509 . . . . 0.0 110.213 -174.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.425 ' NE2' ' HE2' ' A' ' 68' ' ' LYS . 19.1 mt-30 . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.398 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.462 HD13 ' HB ' ' A' ' 94' ' ' THR . 77.9 mt . . . . . 0 CA--C 1.507 -0.685 0 CA-C-O 121.696 0.76 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 8.4 mt-10 -73.34 -53.13 11.52 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.042 -1.435 . . . . 0.0 109.576 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -167.69 -176.39 3.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.194 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 45.3 mt -113.77 143.4 23.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.692 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.0 mt -120.32 106.79 19.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 91' ' ' SER . 98.3 m -118.47 136.84 53.56 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -174.109 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 32.5 m -98.59 137.47 37.18 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 170.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -113.23 110.65 20.73 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.885 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 80.9 m -103.99 116.29 31.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.92 -176.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.457 ' HB2' HG23 ' A' ' 32' ' ' THR . 52.8 t30 -74.99 109.59 8.58 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.39 -0.966 . . . . 0.0 108.39 176.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 88' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.866 -172.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.531 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 32.6 Cg_exo . . . . . 0 C--O 1.231 0.133 0 N-CA-C 111.672 -0.165 . . . . 0.0 111.672 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.15 23.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.127 0.489 . . . . 0.0 111.904 -176.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.627 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 2.5 tm-20 -128.26 133.42 48.79 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 174.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -138.95 139.15 37.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.175 0.512 . . . . 0.0 110.841 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.0 tt -96.92 144.4 10.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.375 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.7 t -145.17 143.22 30.21 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.27 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 15' ' ' ARG . 48.6 mtm105 -108.14 131.21 54.88 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 174.243 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.652 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 1.4 p-80 -138.59 157.89 45.29 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 119.781 -0.768 . . . . 0.0 112.007 -176.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.94 148.18 52.28 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.998 -1.001 . . . . 0.0 108.619 175.396 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.403 HG13 ' HG3' ' A' ' 19' ' ' GLU . 33.5 pt -51.83 -26.21 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 O-C-N 124.306 1.004 . . . . 0.0 113.708 -168.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.403 ' HG3' HG13 ' A' ' 18' ' ' ILE . 14.2 mt-10 -78.68 -8.11 58.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.458 -178.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.16 15.98 18.02 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.656 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.4 mm -91.45 118.36 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.919 0.359 . . . . 0.0 110.427 -175.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' A' ' 40' ' ' LEU . 72.1 m-85 -62.09 130.6 46.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.021 0.439 . . . . 0.0 111.688 -177.119 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 m -114.08 -40.36 3.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.279 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -147.72 133.77 19.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.429 ' CG1' ' HB2' ' A' ' 29' ' ' CYS . 98.1 t -129.36 136.79 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.162 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -75.91 149.27 37.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.314 0.578 . . . . 0.0 110.268 174.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -57.99 -17.81 19.76 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.126 -0.943 . . . . 0.0 112.91 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.627 ' HD3' ' O ' ' A' ' 11' ' ' GLU . 98.5 mtt180 -61.25 -14.78 28.6 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.099 0.249 . . . . 0.0 111.359 176.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.429 ' HB2' ' CG1' ' A' ' 25' ' ' VAL . 43.3 t -50.05 -43.82 51.27 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.393 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.5 m -65.79 -27.86 42.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 111.042 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.68 -52.11 9.51 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.524 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 m -63.47 -52.1 62.79 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.542 ' O ' ' HA ' ' A' ' 80' ' ' SER . 28.0 m -127.68 10.11 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -168.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.05 -28.97 1.89 Allowed Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.292 -0.956 . . . . 0.0 113.824 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.402 ' HE2' ' HB3' ' A' ' 48' ' ' PHE . 12.6 m-85 -71.17 142.31 50.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.234 0.54 . . . . 0.0 111.355 -176.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.501 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 36.7 mm-40 -83.86 146.63 49.62 Favored Pre-proline 0 C--N 1.315 -0.933 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.565 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 82.6 Cg_exo -45.66 -42.72 18.97 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 122.202 1.935 . . . . 0.0 112.093 -179.092 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -56.43 -40.91 75.55 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.7 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.501 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 34.8 mm-40 -62.98 -27.22 69.26 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.223 0.535 . . . . 0.0 111.125 -171.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.589 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 89.0 mt -89.17 -31.16 18.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.656 -175.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 53.7 mt -61.81 112.51 2.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.821 -172.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.91 -8.85 33.97 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.227 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.427 ' HD3' ' HZ ' ' A' ' 48' ' ' PHE . 22.8 mtpp -118.12 165.34 13.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.763 0.316 . . . . 0.0 110.603 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.591 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 5.3 t-20 -87.65 144.06 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.05 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.595 HG12 ' SG ' ' A' ' 49' ' ' CYS . 12.2 tt -57.62 -38.6 65.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.439 174.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.1 -30.09 45.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.356 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.591 ' HG3' ' HB3' ' A' ' 44' ' ' ASN . 39.5 mt-10 -65.02 -19.6 66.08 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.124 0.487 . . . . 0.0 110.499 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.446 ' HD1' HH21 ' A' ' 79' ' ' ARG . 65.5 m-85 -116.0 14.83 16.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.254 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.595 ' SG ' HG12 ' A' ' 45' ' ' ILE . 88.9 m -100.4 148.06 25.14 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.384 178.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.58 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 40.8 t-80 -49.28 128.46 16.75 Favored Pre-proline 0 N--CA 1.465 0.302 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.16 175.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 50' ' ' HIS . 74.6 Cg_exo -51.91 -34.46 56.02 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 124.065 3.177 . . . . 0.0 114.17 -174.055 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -84.2 -7.07 59.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.956 0.408 . . . . 0.0 110.871 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -111.39 -8.89 14.28 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -173.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 50' ' ' HIS . 97.9 mt-30 -66.24 -34.11 77.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.741 -175.047 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.483 ' O ' ' HB3' ' A' ' 58' ' ' ARG . 10.3 tm0? -77.2 -37.23 53.92 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.0 tp -59.6 -47.96 83.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.305 177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.559 HD11 ' CD2' ' A' ' 76' ' ' PHE . 62.3 mt -62.84 -34.43 77.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.211 177.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.654 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 49.8 ttt180 -55.84 -54.95 38.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.671 175.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.556 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 19.0 t70 -68.63 -39.92 80.56 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.497 0.184 . . . . 0.0 111.497 -176.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.49 ' OG ' ' HA ' ' A' ' 57' ' ' LEU . 6.1 p -67.79 -44.21 77.91 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.318 0.58 . . . . 0.0 111.289 -175.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.524 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.2 m-85 -59.33 -36.18 75.21 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.822 175.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.654 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 87.3 mm-40 -67.85 -35.46 78.6 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.59 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.577 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 40.0 mm-40 -57.31 -51.84 67.74 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.147 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.532 HG11 ' HB3' ' A' ' 92' ' ' SER . 12.2 p -66.04 -31.08 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.037 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.538 ' HA ' HG21 ' A' ' 94' ' ' THR . 78.1 t -68.71 -34.99 67.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.219 0.533 . . . . 0.0 110.195 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 16.3 ptpt -88.05 -17.72 30.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.112 177.282 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 75.4 mt -76.05 -52.75 9.52 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 173.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 98.0 mttt 62.54 97.98 0.03 OUTLIER 'General case' 0 C--O 1.235 0.339 0 O-C-N 123.844 0.715 . . . . 0.0 112.601 175.005 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.88 -18.05 50.96 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.473 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -90.96 129.75 36.95 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.8 p -76.83 121.44 29.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.585 ' HB3' ' HB2' ' A' ' 92' ' ' SER . 15.4 tp -106.12 144.28 33.06 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.374 -174.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.406 ' HB3' ' HD3' ' A' ' 89' ' ' ARG . 25.2 m -111.4 121.32 44.91 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.891 0.377 . . . . 0.0 111.044 175.198 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.9 p -129.54 132.94 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.59 0 CA-C-O 121.611 0.72 . . . . 0.0 109.673 173.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.9 ttt -109.55 124.0 50.37 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.924 -175.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.559 ' CD2' HD11 ' A' ' 57' ' ' LEU . 18.8 p90 -146.46 178.11 8.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.031 -175.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.638 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 38.9 mtm180 -108.13 114.36 28.2 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 176.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.511 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 4.9 t80 -83.98 147.31 27.52 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.728 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 54.0 ttp180 -88.93 105.59 17.87 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.097 178.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.639 ' HB3' ' HB2' ' A' ' 84' ' ' GLU . 30.1 t -58.17 167.29 1.33 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.203 173.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -67.3 -9.52 41.71 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.603 -176.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -103.83 13.46 32.87 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.41 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 1.7 mp0 66.08 38.12 4.92 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 114.154 -1.385 . . . . 0.0 110.597 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.728 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 20.0 mt-10 -94.25 158.5 15.56 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.638 -1.164 . . . . 0.0 109.601 177.084 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.509 ' CZ3' ' HA ' ' A' ' 50' ' ' HIS . 31.0 m95 -117.6 83.26 1.96 Allowed 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 120.763 0.316 . . . . 0.0 110.387 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.712 HD13 ' HE1' ' A' ' 88' ' ' MET . 0.3 OUTLIER -92.82 166.01 12.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.08 -178.244 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -101.01 122.46 43.57 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -170.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.712 ' HE1' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -136.19 147.98 47.91 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.159 0.504 . . . . 0.0 110.57 172.901 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.406 ' HD3' ' HB3' ' A' ' 73' ' ' SER . 37.1 ttm180 -106.85 117.27 33.62 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.08 174.366 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.511 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 86.9 m -94.67 133.53 38.23 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.315 -176.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.4 m -88.34 114.82 25.35 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.478 -0.783 . . . . 0.0 108.998 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.585 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 5.1 m -93.77 120.41 34.0 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.324 -176.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -129.83 135.06 47.97 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.536 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.538 HG21 ' HA ' ' A' ' 65' ' ' VAL . 20.8 p -100.0 108.82 21.11 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 176.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.527 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 2.6 t80 -81.02 117.3 21.51 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 1.006 ' HG2' HG12 ' A' ' 103' ' ' ILE . 16.0 mt-30 . . . . . 0 C--N 1.319 -0.76 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.484 -172.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 1.006 HG12 ' HG2' ' A' ' 96' ' ' GLN . 60.7 mt . . . . . 0 CA--C 1.51 -0.594 0 CA-C-O 121.061 0.458 . . . . 0.0 109.928 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 4.8 pt-20 -69.67 -41.32 75.65 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.503 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.483 ' HB2' ' O ' ' A' ' 16' ' ' HIS . 24.3 p90 -173.91 173.68 3.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.951 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.652 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 65.7 mt -100.97 144.52 12.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.587 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 63.3 mt -113.44 115.52 49.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.6 p -113.4 112.43 23.63 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.274 0.559 . . . . 0.0 111.622 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.3 m -90.24 136.21 33.19 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 171.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.437 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 33.7 m-80 -126.49 110.75 13.63 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.914 -171.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.1 m -108.19 127.12 53.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.306 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -81.52 116.57 21.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.959 0.409 . . . . 0.0 110.106 -177.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 24.1 t . . . . . 0 C--N 1.322 -0.607 0 CA-C-O 121.756 0.789 . . . . 0.0 110.311 -178.95 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.59 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 31.7 Cg_exo . . . . . 0 CA--C 1.531 0.372 0 CA-C-O 120.523 0.135 . . . . 0.0 111.796 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.421 HG22 ' HA ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -85.68 33.0 0.57 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.193 0.521 . . . . 0.0 112.018 -174.57 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.47 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 9.1 pt-20 -142.88 135.66 27.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.746 173.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -130.49 153.43 48.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.144 0.497 . . . . 0.0 110.897 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.9 mt -102.78 128.7 55.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.483 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.0 t -127.2 140.67 52.08 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.26 0.553 . . . . 0.0 111.049 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.433 ' HG2' HG12 ' A' ' 107' ' ' ILE . 77.8 mtt180 -110.6 121.65 45.85 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 173.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -139.32 153.58 47.76 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.095 0.474 . . . . 0.0 111.294 -172.832 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.44 147.09 52.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.836 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.487 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 44.0 pt -50.08 -25.29 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 124.452 1.095 . . . . 0.0 113.588 -169.183 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -75.69 -9.51 58.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.215 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.41 9.41 33.6 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.254 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 46.1 mm -88.26 122.08 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -175.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CD2' ' HG ' ' A' ' 40' ' ' LEU . 93.6 m-85 -69.22 126.14 28.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.998 0.427 . . . . 0.0 111.346 -176.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.2 m -109.72 -39.26 5.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.493 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -141.68 132.56 25.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.466 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.423 ' CG1' ' HB2' ' A' ' 29' ' ' CYS . 97.6 t -130.59 137.9 55.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.709 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -75.87 149.22 37.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.071 0.462 . . . . 0.0 110.662 175.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -59.11 -16.03 17.29 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -173.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.59 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 84.3 mtm180 -68.43 0.02 4.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.074 0.464 . . . . 0.0 111.263 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 35' ' ' TYR . 32.2 t -58.36 -38.33 77.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.139 176.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.2 m -69.32 -31.34 49.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.137 0.494 . . . . 0.0 111.431 -177.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.63 -52.23 9.34 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.487 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.421 ' HA ' HG22 ' A' ' 10' ' ' THR . 2.8 m -60.25 -54.76 41.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.721 178.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.523 HG11 ' CD1' ' A' ' 78' ' ' PHE . 35.3 m -132.09 10.79 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -170.46 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.67 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 77.98 -18.61 4.92 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 120.58 -0.819 . . . . 0.0 114.351 173.453 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.439 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 23.1 m-85 -75.25 148.11 39.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.507 0.653 . . . . 0.0 111.182 -178.249 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.605 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 9.7 mm-40 -85.33 137.63 36.8 Favored Pre-proline 0 C--N 1.315 -0.916 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 169.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.664 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 86.4 Cg_exo -41.14 -50.92 4.12 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.636 2.224 . . . . 0.0 112.453 -177.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -56.91 -42.9 80.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.745 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.605 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 38.4 mm-40 -61.8 -33.12 73.54 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.439 0.638 . . . . 0.0 110.493 -176.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.471 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 18.8 tp -81.47 -28.46 34.11 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.105 -177.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 57.2 mt -60.85 117.51 5.51 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.461 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.64 -28.35 7.13 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.869 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.807 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 10.5 mmpt? -91.03 155.14 18.91 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.972 0.415 . . . . 0.0 110.236 178.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.531 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 10.0 t-20 -87.1 144.05 27.04 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 170.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.427 HG13 ' HE2' ' A' ' 78' ' ' PHE . 15.2 tt -58.32 -25.04 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.033 175.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.3 p -72.41 -23.58 21.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.721 0.296 . . . . 0.0 110.607 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.531 ' HG3' ' HB3' ' A' ' 44' ' ' ASN . 46.4 mt-10 -72.81 -19.32 61.36 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.109 0.481 . . . . 0.0 110.486 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -118.48 17.4 13.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.248 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.403 ' SG ' HD22 ' A' ' 57' ' ' LEU . 41.8 t -98.64 132.03 44.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.057 173.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.599 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 54.9 t60 -46.86 123.4 7.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.116 174.329 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.457 ' HA ' ' CD ' ' A' ' 54' ' ' GLN . 6.9 Cg_endo -49.79 -23.23 8.15 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 124.202 3.268 . . . . 0.0 114.758 -172.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -87.55 -6.13 58.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.261 -0.275 . . . . 0.0 111.413 -178.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.567 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 45.6 m-20 -110.52 -17.87 13.33 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 120.728 0.299 . . . . 0.0 110.41 -178.028 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.457 ' CD ' ' HA ' ' A' ' 51' ' ' PRO . 81.2 mt-30 -53.67 -29.28 37.9 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.259 0.624 . . . . 0.0 111.953 -178.02 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -74.08 -48.8 27.27 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.746 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 53' ' ' ASP . 4.6 pp -66.53 -29.85 70.03 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.923 0.868 . . . . 0.0 108.991 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.533 ' N ' HD12 ' A' ' 56' ' ' LEU . 20.6 tp -64.22 -52.12 60.37 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.854 174.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 54' ' ' GLN . 98.4 mtt180 -55.59 -48.1 75.39 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.269 0.556 . . . . 0.0 110.203 175.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.628 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 23.1 t70 -61.04 -41.56 96.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.423 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.4 p -65.13 -41.53 94.73 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.38 0.609 . . . . 0.0 110.801 -175.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.519 ' O ' HG23 ' A' ' 65' ' ' VAL . 4.1 m-85 -60.31 -37.92 82.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.909 176.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 30.9 mm-40 -68.57 -37.07 79.57 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.664 178.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.628 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 31.0 mm-40 -62.1 -48.33 80.65 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.495 HG11 ' OG ' ' A' ' 92' ' ' SER . 10.6 p -70.75 -24.34 24.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.589 -176.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 61' ' ' PHE . 70.8 t -70.63 -27.99 32.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.469 0.652 . . . . 0.0 109.429 174.21 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -83.86 -31.77 25.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.447 174.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.609 HD12 HD23 ' A' ' 72' ' ' LEU . 54.0 mt -90.72 29.38 1.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.108 -177.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.468 ' HD3' ' OE1' ' A' ' 96' ' ' GLN . 95.2 mttt -36.47 101.7 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.2 -27.52 6.08 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.758 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -97.11 142.41 29.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.796 0.331 . . . . 0.0 110.572 -178.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.5 t -77.77 120.37 28.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.947 177.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.609 HD23 HD12 ' A' ' 67' ' ' LEU . 1.3 tm? -113.78 115.52 27.91 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -177.242 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.1 p -100.35 126.76 46.75 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.296 0.569 . . . . 0.0 111.654 -175.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.2 p -115.57 130.06 70.83 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 CA-C-O 121.872 0.844 . . . . 0.0 110.338 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.8 ttt -105.43 126.99 52.74 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 114.413 -1.267 . . . . 0.0 109.362 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -159.48 178.57 9.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.931 -174.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.599 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 41.1 mtt180 -102.16 115.07 29.77 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.523 ' CD1' HG11 ' A' ' 33' ' ' VAL . 15.9 t80 -99.1 140.28 33.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.686 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 15.1 ttp180 -81.43 118.95 23.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.062 0.458 . . . . 0.0 111.688 -178.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.495 ' HB2' HD21 ' A' ' 86' ' ' LEU . 32.1 t -78.33 177.29 8.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.529 173.318 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.67 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 19.6 tptm -69.53 -7.21 36.34 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 111.023 -177.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -103.48 11.79 35.97 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.576 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 66.43 25.2 10.29 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 114.552 -1.204 . . . . 0.0 112.035 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.686 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 23.1 mm-40 -101.6 167.66 9.98 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.321 175.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.563 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 68.6 m95 -120.05 93.97 4.23 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.162 -173.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.55 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -93.48 155.18 17.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.308 0.575 . . . . 0.0 111.846 -175.03 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -80.26 97.62 7.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.673 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.496 ' CE ' ' HB3' ' A' ' 110' ' ' ASN . 0.5 OUTLIER -112.06 132.19 54.97 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.525 177.899 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -100.84 111.61 23.86 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.425 ' CG2' ' HB2' ' A' ' 108' ' ' CYS . 85.4 m -95.97 122.18 38.51 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.664 -177.481 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 34.1 m -95.57 120.13 35.27 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.006 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.495 ' OG ' HG11 ' A' ' 64' ' ' VAL . 11.3 t -101.29 153.85 19.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.47 0.652 . . . . 0.0 111.231 -173.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.57 ' HE2' ' HD1' ' A' ' 95' ' ' PHE . 55.5 t80 -156.09 133.3 10.69 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.164 -1.38 . . . . 0.0 108.648 173.072 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.481 HG21 ' HA ' ' A' ' 65' ' ' VAL . 42.7 p -87.47 103.33 15.42 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.57 ' HD1' ' HE2' ' A' ' 93' ' ' PHE . 16.8 t80 -73.08 110.16 7.16 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.595 0.712 . . . . 0.0 109.576 -176.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.621 ' HG2' HG12 ' A' ' 103' ' ' ILE . 24.7 mt-30 . . . . . 0 C--N 1.315 -0.932 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.009 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.621 HG12 ' HG2' ' A' ' 96' ' ' GLN . 69.1 mt . . . . . 0 CA--C 1.513 -0.46 0 CA-C-O 120.9 0.381 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 4.0 pt-20 -94.72 -39.9 10.06 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.018 173.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -174.13 175.87 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.972 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.487 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 67.5 mt -98.62 144.29 11.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.433 HG12 ' HG2' ' A' ' 15' ' ' ARG . 46.7 mt -117.41 115.21 47.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 175.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 91' ' ' SER . 22.3 p -117.95 135.12 54.33 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.398 0.618 . . . . 0.0 111.308 -174.26 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 26.4 m -94.09 121.53 35.67 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.736 171.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.496 ' HB3' ' CE ' ' A' ' 88' ' ' MET . 29.1 m-80 -108.46 109.32 20.56 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 -175.029 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.4 m -117.7 130.31 56.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.93 0.395 . . . . 0.0 111.238 -173.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -83.26 112.9 20.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.096 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.324 -0.502 0 CA-C-O 121.528 0.68 . . . . 0.0 109.265 177.661 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.867 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 48.9 Cg_exo . . . . . 0 CA--C 1.531 0.369 0 CA-C-O 120.704 0.21 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.74 17.71 18.69 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.051 0.453 . . . . 0.0 111.811 -171.466 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 0.5 OUTLIER -133.73 135.74 44.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 169.595 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -127.91 151.35 49.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.075 0.464 . . . . 0.0 111.253 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.3 mt -98.4 120.82 48.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.885 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.8 p -118.02 125.0 49.51 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.061 0.458 . . . . 0.0 110.368 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -105.94 124.18 49.16 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 176.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.528 ' HB3' ' HA ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -145.16 158.2 43.88 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -170.032 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.632 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -59.19 144.81 44.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 113.861 -1.518 . . . . 0.0 109.387 176.288 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.8 pt -53.23 -24.43 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -170.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -78.03 -12.32 59.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.688 0.28 . . . . 0.0 110.902 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.81 4.05 21.51 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.66 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.632 ' HB ' ' HB3' ' A' ' 17' ' ' ASN . 41.4 mm -82.09 111.43 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 116.776 0.288 . . . . 0.0 110.904 -172.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.528 ' HA ' ' HB3' ' A' ' 16' ' ' HIS . 96.5 m-85 -63.96 118.63 8.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.867 0.365 . . . . 0.0 111.759 -177.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 p -108.63 -30.22 8.33 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.292 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -139.3 122.65 17.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.384 176.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.9 t -129.3 136.44 59.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.673 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -84.49 149.5 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.31 0.576 . . . . 0.0 110.9 176.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -54.8 -20.95 9.69 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.88 -173.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.867 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 80.1 mtm180 -63.28 -8.41 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 111.816 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.1 p -63.19 -33.17 74.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.625 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.76 HG12 ' HA ' ' A' ' 36' ' ' GLN . 3.9 m -66.25 -32.16 56.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.945 0.402 . . . . 0.0 110.957 -174.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.31 -52.82 7.25 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.69 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -54.95 -55.34 31.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.664 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.2 m -127.69 11.38 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -169.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 81' ' ' LYS . . . 75.29 -28.96 1.18 Allowed Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.8 -0.714 . . . . 0.0 114.051 175.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -70.18 139.07 52.28 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 120.979 0.418 . . . . 0.0 110.114 -177.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.76 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -83.55 153.43 64.99 Favored Pre-proline 0 C--N 1.316 -0.878 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 173.615 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.729 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 81.7 Cg_exo -45.67 -50.48 9.4 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 122.71 2.273 . . . . 0.0 112.809 -174.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -60.07 -40.82 90.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.098 -178.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -62.0 -30.46 70.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.261 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 14.5 tp -88.62 -26.49 21.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.407 -178.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.729 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 66.6 mt -64.0 115.6 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.947 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.31 -12.61 28.49 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.111 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.55 ' HE2' ' CZ ' ' A' ' 48' ' ' PHE . 29.5 mmmt -99.74 155.29 17.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.778 0.323 . . . . 0.0 110.679 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.633 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 29.1 t-20 -90.66 140.69 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 171.462 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.468 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 14.0 tt -59.4 -25.16 30.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.793 176.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.1 t -73.18 -27.66 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.055 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.633 ' HG3' ' HB3' ' A' ' 44' ' ' ASN . 37.7 mt-10 -61.47 -39.83 92.31 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.991 0.424 . . . . 0.0 110.542 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.55 ' CZ ' ' HE2' ' A' ' 43' ' ' LYS . 37.0 m-85 -102.13 17.05 24.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.082 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.452 ' SG ' HD12 ' A' ' 57' ' ' LEU . 44.2 t -90.5 132.95 35.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.233 172.211 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.618 ' HB3' ' CB ' ' A' ' 53' ' ' ASP . 26.0 t-80 -46.59 134.48 7.88 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.653 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -48.57 -53.08 7.39 Favored 'Trans proline' 0 N--CA 1.478 0.582 0 C-N-CA 122.817 2.345 . . . . 0.0 113.954 -172.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.408 ' HG2' ' ND1' ' A' ' 50' ' ' HIS . 7.7 pt-20 -70.16 -5.92 30.58 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.029 0.442 . . . . 0.0 111.611 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.654 ' OD2' ' HB2' ' A' ' 76' ' ' PHE . 29.8 t70 -110.36 -7.04 14.84 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.726 0.774 . . . . 0.0 109.546 -164.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -70.7 -37.0 73.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.961 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -37.04 85.71 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tt -60.09 -52.95 63.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.408 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 57' ' ' LEU . 10.8 mt -59.19 -44.59 92.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.721 176.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.608 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 24.0 ttt180 -53.19 -56.74 14.03 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.48 0.487 . . . . 0.0 110.964 -177.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.643 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 30.6 t70 -62.34 -44.32 96.76 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.051 0.453 . . . . 0.0 110.943 -177.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.8 m -65.88 -33.4 75.76 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.165 -175.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.495 ' O ' HG23 ' A' ' 65' ' ' VAL . 12.4 m-85 -69.29 -39.12 78.52 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 174.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.608 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 87.1 mm-40 -62.71 -39.58 94.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.444 177.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.643 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 82.9 mm-40 -57.35 -50.07 74.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.517 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.506 HG11 ' OG ' ' A' ' 92' ' ' SER . 10.7 p -72.58 -22.71 20.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 120.961 0.41 . . . . 0.0 110.877 -177.501 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.563 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 64.9 t -71.17 -34.56 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 173.367 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 29.5 mtpp -72.25 -36.68 69.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.948 173.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.817 HD11 HD13 ' A' ' 72' ' ' LEU . 50.5 mt -61.53 -58.76 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.32 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.581 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 96.3 mttt 55.51 93.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 O-C-N 124.02 0.825 . . . . 0.0 111.851 -177.233 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.99 -14.0 34.19 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.982 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.475 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 14.6 mm100 -104.52 137.45 42.37 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.911 0.355 . . . . 0.0 110.802 -178.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 92' ' ' SER . 68.2 t -77.81 126.5 38.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.074 177.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.817 HD13 HD11 ' A' ' 67' ' ' LEU . 13.7 tp -117.76 137.51 52.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.51 -176.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.9 p -99.77 121.52 41.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.874 0.369 . . . . 0.0 110.991 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.8 p -125.7 131.8 71.56 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 CA-C-O 121.753 0.787 . . . . 0.0 109.97 174.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 24.3 ttt -111.64 121.75 45.97 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 114.569 -1.196 . . . . 0.0 109.757 -174.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.654 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . 28.9 p90 -151.8 178.73 9.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.228 -170.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.507 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 40.9 mtm180 -111.33 114.92 28.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.943 0.401 . . . . 0.0 110.92 -176.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -96.81 137.26 36.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.655 -177.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.595 ' NH2' ' HG3' ' A' ' 83' ' ' GLN . 32.2 ttt180 -82.59 104.36 12.8 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.054 0.454 . . . . 0.0 110.618 176.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.5 t -64.5 174.72 1.61 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.331 175.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.444 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . 25.9 tptp -68.92 -5.89 24.08 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.842 0.857 . . . . 0.0 110.989 -177.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -98.5 8.05 45.38 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.595 ' HG3' ' NH2' ' A' ' 79' ' ' ARG . 2.5 mp0 65.27 29.57 11.61 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.404 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.567 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 13.7 pt-20 -112.21 155.41 24.03 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.193 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.476 ' CZ3' ' HB2' ' A' ' 79' ' ' ARG . 42.9 m95 -111.06 107.36 16.72 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -176.016 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.507 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.2 pp -110.94 158.49 18.7 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.293 -177.155 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -81.25 133.63 35.47 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 120.988 0.423 . . . . 0.0 110.297 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.557 ' HA ' HG22 ' A' ' 113' ' ' VAL . 10.0 ptp -142.68 143.42 32.31 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.285 170.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -106.74 111.18 23.59 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 109' ' ' THR . 91.4 m -99.56 136.95 38.73 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 114.695 -1.138 . . . . 0.0 111.333 -176.45 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.412 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 15.9 m -96.59 120.18 36.43 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.222 175.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.506 ' OG ' HG11 ' A' ' 64' ' ' VAL . 9.3 t -98.08 155.63 17.04 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.339 0.59 . . . . 0.0 110.224 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 80.3 t80 -154.15 134.62 13.46 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.464 176.363 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.706 ' HB ' HD12 ' A' ' 103' ' ' ILE . 2.7 p -103.03 106.47 17.0 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 120.481 -0.488 . . . . 0.0 109.816 177.119 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.522 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 7.4 t80 -70.42 109.22 4.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.93 -171.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.293 177.699 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.706 HD12 ' HB ' ' A' ' 94' ' ' THR . 48.6 mm . . . . . 0 CA--C 1.515 -0.393 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -64.39 -47.48 79.08 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.693 0.759 . . . . 0.0 109.066 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -176.38 176.5 1.63 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.062 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.459 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 57.0 mt -97.16 142.2 14.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 175.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 47.3 mt -114.13 111.77 37.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 91.5 m -111.07 116.98 32.07 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.353 0.597 . . . . 0.0 111.23 -177.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' A' ' 90' ' ' THR . 8.0 m -93.19 109.53 21.04 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 173.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.469 ' O ' ' HA ' ' A' ' 11' ' ' GLU . 14.5 m120 -95.18 110.13 22.14 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -171.599 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.8 m -109.43 121.24 44.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.746 0.308 . . . . 0.0 110.858 -177.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -78.7 110.54 13.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.197 0.522 . . . . 0.0 110.217 -176.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.557 HG22 ' HA ' ' A' ' 88' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.44 -0.929 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.133 175.647 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.482 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 76.3 Cg_exo . . . . . 0 CA--C 1.53 0.303 0 CA-C-O 120.842 0.268 . . . . 0.0 112.311 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -83.51 8.5 13.84 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.443 0.64 . . . . 0.0 111.648 -172.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.666 ' HG2' ' HA ' ' A' ' 111' ' ' THR . 45.9 mt-10 -119.12 134.67 55.06 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 175.003 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -126.06 133.27 51.75 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.6 mt -93.64 125.37 46.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.464 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.5 p -131.05 140.34 50.06 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.234 0.54 . . . . 0.0 111.091 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.423 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 49.3 mtt180 -111.13 123.44 50.21 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.453 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -146.53 153.03 39.92 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.042 -170.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -74.93 154.23 38.25 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.421 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 26.1 pt -53.34 -21.12 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 O-C-N 124.43 1.082 . . . . 0.0 113.714 -168.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -73.55 -9.1 58.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.356 0.598 . . . . 0.0 110.739 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 44' ' ' ASN . . . 100.78 4.49 54.5 Favored Glycine 0 N--CA 1.44 -1.092 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 -177.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 31.7 mm -78.87 114.82 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 O-C-N 123.564 0.214 . . . . 0.0 110.989 -174.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.487 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 96.6 m-85 -75.51 122.25 23.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.036 0.446 . . . . 0.0 111.106 -178.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.1 p -110.43 -29.58 8.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.835 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.423 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 83.4 t80 -135.59 117.64 15.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.048 176.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.0 t -123.57 130.37 74.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.813 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -74.72 148.52 40.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.154 0.502 . . . . 0.0 110.221 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -60.51 -15.31 25.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.579 -174.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.656 ' HD2' ' O ' ' A' ' 11' ' ' GLU . 56.8 mtm180 -64.82 -11.14 33.91 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.5 p -57.79 -34.43 69.6 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.818 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.636 HG12 ' HA ' ' A' ' 36' ' ' GLN . 4.0 m -66.94 -30.37 49.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.447 -177.067 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.99 -51.39 9.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 -177.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.539 HG23 ' HB2' ' A' ' 112' ' ' ASN . 7.4 m -65.33 -50.46 65.57 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.422 HG11 ' CD1' ' A' ' 78' ' ' PHE . 35.1 m -129.36 14.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -169.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.59 -26.89 0.89 Allowed Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.938 -0.648 . . . . 0.0 114.39 174.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -70.3 140.29 52.26 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.261 0.553 . . . . 0.0 110.022 -177.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.646 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 15.4 mm-40 -84.13 154.85 63.88 Favored Pre-proline 0 C--N 1.311 -1.105 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 176.083 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.651 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 76.5 Cg_exo -47.95 -50.23 12.24 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.35 2.033 . . . . 0.0 111.868 -176.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -54.91 -46.39 74.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.386 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.646 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 8.7 mm-40 -62.65 -29.77 70.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.689 -172.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.3 tp -89.34 -25.63 21.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.274 -174.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 85.0 mt -60.36 115.32 3.45 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.051 0.453 . . . . 0.0 111.345 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.12 -12.84 34.1 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.29 178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.657 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 9.3 mmpt? -102.1 154.25 19.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.537 0.208 . . . . 0.0 110.48 -178.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.649 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 8.5 m120 -84.73 146.23 27.52 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.487 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 13.2 tt -61.33 -25.95 37.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.21 171.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.447 HG12 ' HB3' ' A' ' 44' ' ' ASN . 8.1 p -74.87 -15.7 16.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.21 -178.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.649 ' HG2' ' HB2' ' A' ' 44' ' ' ASN . 16.6 mm-40 -76.23 -29.42 57.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.145 0.497 . . . . 0.0 110.758 179.379 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -113.73 14.45 18.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.344 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.43 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 41.0 t -87.41 142.5 27.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.18 176.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.71 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 39.0 t-80 -49.85 127.03 19.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.02 173.586 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -49.33 -34.04 30.84 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 124.473 3.449 . . . . 0.0 114.59 -171.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -82.79 -9.86 59.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 111.355 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.3 m-20 -110.2 -13.04 14.41 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -170.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 50' ' ' HIS . 78.8 mt-30 -59.9 -41.05 90.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.925 -176.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -77.32 -31.17 54.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.431 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 tt -68.51 -49.11 62.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 122.131 0.967 . . . . 0.0 108.497 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.707 ' HA ' HG21 ' A' ' 74' ' ' VAL . 0.3 OUTLIER -61.25 -43.86 98.19 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 113.672 -1.604 . . . . 0.0 110.268 175.425 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.58 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 80.0 ttt180 -56.41 -54.4 46.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.811 0.339 . . . . 0.0 110.805 178.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.3 -32.7 68.69 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.495 0.664 . . . . 0.0 111.103 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.9 m -77.06 -32.43 56.82 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.899 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.534 ' O ' HG12 ' A' ' 64' ' ' VAL . 4.7 m-30 -69.54 -32.44 71.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.277 0.56 . . . . 0.0 109.773 173.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 58' ' ' ARG . 33.6 mt-30 -64.24 -38.72 92.07 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 174.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -70.01 -32.09 70.07 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.432 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 61' ' ' PHE . 8.6 p -71.87 -25.82 24.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 119.314 -0.954 . . . . 0.0 110.088 177.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 62.7 t -74.14 -25.9 20.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 171.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.555 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 59.6 mtpt -80.53 -38.26 29.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.433 176.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.865 HD12 HD23 ' A' ' 72' ' ' LEU . 43.0 mt -95.78 30.45 2.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.798 -176.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 95.0 mttt -29.86 109.99 0.05 Allowed 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.06 -18.9 33.29 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.607 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.447 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 75.6 mt-30 -95.12 144.83 25.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.746 0.308 . . . . 0.0 110.694 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.2 p -77.02 116.82 20.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.396 0.617 . . . . 0.0 109.758 173.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.865 HD23 HD12 ' A' ' 67' ' ' LEU . 1.6 tm? -103.68 115.33 30.3 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -179.199 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.6 p -89.99 121.23 31.89 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.866 0.365 . . . . 0.0 110.911 -177.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.707 HG21 ' HA ' ' A' ' 57' ' ' LEU . 2.4 p -124.24 128.4 73.85 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 CA-C-O 121.729 0.776 . . . . 0.0 110.399 175.175 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 11.1 ttt -107.13 128.16 54.14 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.475 -1.238 . . . . 0.0 109.877 -176.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.413 ' HZ ' HD11 ' A' ' 45' ' ' ILE . 19.3 p90 -161.51 178.66 8.89 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.159 -175.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.71 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 81.9 mtp180 -108.35 123.12 48.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.848 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.52 ' O ' ' HA ' ' A' ' 85' ' ' TRP . 2.1 t80 -98.23 139.88 33.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.587 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.58 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 36.9 ttp180 -82.02 109.16 16.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.168 0.509 . . . . 0.0 111.092 178.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.5 p -65.97 175.61 1.96 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.343 172.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -72.63 -8.65 56.34 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 -175.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -102.04 10.13 39.82 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.447 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 2.0 mp0 67.03 40.84 2.81 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 114.69 -1.141 . . . . 0.0 112.333 174.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.58 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 36.9 mm-40 -115.94 159.98 20.85 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.582 170.486 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.557 ' CZ3' ' HB2' ' A' ' 79' ' ' ARG . 11.5 m95 -115.43 92.12 3.82 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -173.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.649 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -83.85 163.32 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.619 -178.068 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -90.32 121.67 32.54 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.908 -175.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 13.1 ptp -135.04 148.82 50.01 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.605 176.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -111.62 112.58 24.39 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 173.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 108' ' ' CYS . 96.5 m -93.54 131.59 38.65 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.834 -176.486 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.4 m -90.17 110.09 21.13 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.088 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.618 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 9.7 m -92.68 128.16 38.44 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.415 -174.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 67.0 t80 -131.01 135.22 47.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.443 173.224 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.784 ' HB ' HD12 ' A' ' 103' ' ' ILE . 4.1 p -104.34 112.25 25.21 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.956 0.408 . . . . 0.0 110.209 175.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.433 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 5.1 t80 -81.72 103.07 11.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.23 0.538 . . . . 0.0 111.166 -173.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 . . . . . 0 N--CA 1.45 -0.431 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.863 173.582 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.784 HD12 ' HB ' ' A' ' 94' ' ' THR . 48.9 mm . . . . . 0 CA--C 1.509 -0.606 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -68.29 -36.3 79.15 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.211 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -174.76 176.37 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.059 176.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.453 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 64.5 mt -99.22 141.6 16.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.829 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 71.2 mt -114.59 107.49 23.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 177.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.438 ' HB2' ' CG2' ' A' ' 90' ' ' THR . 13.9 p -118.64 119.54 34.79 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.381 0.61 . . . . 0.0 112.029 -172.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.0 m -89.87 134.91 33.94 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 171.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -118.15 111.62 19.09 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -171.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.666 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 58.5 m -107.41 110.42 22.38 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.084 -175.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.539 ' HB2' HG23 ' A' ' 32' ' ' THR . 2.4 t-20 -81.3 109.91 16.25 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.01 -178.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 38.7 t . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.065 -175.712 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo . . . . . 0 C--O 1.232 0.206 0 CA-C-O 120.453 0.105 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.55 HG22 ' HA ' ' A' ' 32' ' ' THR . 1.1 p -86.23 29.41 0.75 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.428 0.632 . . . . 0.0 111.929 -179.048 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 1.7 tm-20 -131.49 134.16 45.86 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 171.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.644 ' HB3' ' HB2' ' A' ' 28' ' ' ARG . 47.3 p90 -144.96 147.63 32.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.835 0.35 . . . . 0.0 110.996 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.6 mt -93.95 128.7 45.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.2 p -126.95 136.36 52.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.317 0.58 . . . . 0.0 110.866 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.508 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 69.9 mtt180 -111.1 126.55 54.95 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 176.537 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' HB3' ' HA ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -150.36 152.11 33.89 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.29 -172.72 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -73.01 155.4 39.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.462 ' HA ' HG13 ' A' ' 106' ' ' ILE . 37.3 pt -49.79 -27.36 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -167.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.01 -15.92 63.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.867 0.365 . . . . 0.0 111.198 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.59 4.4 32.27 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.89 -175.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.9 mm -83.0 115.48 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 121.957 0.103 . . . . 0.0 111.027 -172.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.601 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 97.8 m-85 -71.31 129.45 38.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.905 0.383 . . . . 0.0 111.753 -175.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.8 p -112.44 -24.58 9.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.742 176.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.508 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 87.2 t80 -144.16 127.4 16.7 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.58 176.303 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.419 HG21 HD23 ' A' ' 40' ' ' LEU . 87.3 t -131.11 135.73 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.809 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.567 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 13.3 t70 -81.41 149.68 28.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.281 0.563 . . . . 0.0 110.774 176.169 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.421 ' HA ' ' HG3' ' A' ' 37' ' ' PRO . 66.1 m80 -52.06 -23.98 6.1 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 114.816 -1.084 . . . . 0.0 113.322 -174.571 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.644 ' HB2' ' HB3' ' A' ' 12' ' ' PHE . 87.8 mtt180 -63.33 -9.04 10.2 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.786 0.327 . . . . 0.0 111.692 -178.248 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 39.7 t -60.32 -36.53 78.14 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.499 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.734 HG12 ' HA ' ' A' ' 36' ' ' GLN . 5.2 m -65.56 -34.51 70.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.244 -175.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.11 -50.85 10.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.996 0.427 . . . . 0.0 110.379 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.55 ' HA ' HG22 ' A' ' 10' ' ' THR . 5.7 m -56.04 -55.1 37.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.619 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.52 HG12 HD11 ' A' ' 86' ' ' LEU . 22.2 m -135.16 16.95 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -170.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.44 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 78.08 -28.09 1.97 Allowed Glycine 0 CA--C 1.517 0.194 0 C-N-CA 120.677 -0.773 . . . . 0.0 114.48 173.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -70.57 133.64 46.92 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 117.478 0.639 . . . . 0.0 110.192 -177.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.734 ' HA ' HG12 ' A' ' 30' ' ' VAL . 57.7 mm-40 -78.53 147.79 72.3 Favored Pre-proline 0 C--N 1.308 -1.211 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 175.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.657 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 76.2 Cg_exo -41.38 -51.33 4.16 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.564 2.176 . . . . 0.0 112.42 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -63.06 -39.32 94.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.999 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -64.78 -26.58 68.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.296 -175.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 18.0 tp -91.0 -24.24 20.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.546 -177.275 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 56.3 mt -61.97 124.71 21.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.706 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.64 -15.81 55.41 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.725 175.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -112.84 161.64 16.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.849 0.357 . . . . 0.0 110.808 -176.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -90.8 140.84 29.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.568 -172.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.601 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 13.8 tt -61.8 -28.37 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.52 173.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.4 t -70.74 -29.86 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.375 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.57 -24.63 65.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.092 0.473 . . . . 0.0 110.57 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -114.3 20.32 15.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.053 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.556 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 53.7 t -96.42 145.49 25.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.017 175.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.552 ' HA ' ' CE3' ' A' ' 85' ' ' TRP . 18.4 t-80 -44.06 126.91 4.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.66 173.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.38 -18.52 25.07 Favored 'Trans proline' 0 N--CA 1.477 0.52 0 C-N-CA 123.07 2.513 . . . . 0.0 113.45 -173.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -97.24 -6.52 34.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.29 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -116.45 -0.26 12.56 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -172.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.556 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 77.6 mt-30 -69.68 -32.05 70.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.911 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.03 -44.33 80.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.101 171.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.3 -45.99 79.99 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.224 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.455 HD23 HG21 ' A' ' 74' ' ' VAL . 12.4 mt -61.52 -45.58 93.61 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.696 174.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.513 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 41.7 ttt180 -53.11 -54.88 29.16 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.446 0.466 . . . . 0.0 110.484 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.624 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 13.6 t70 -56.13 -48.96 75.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.507 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.4 m -68.05 -33.43 74.55 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.146 -172.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.55 ' O ' HG23 ' A' ' 65' ' ' VAL . 15.4 m-30 -69.62 -35.97 75.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.001 0.429 . . . . 0.0 109.843 175.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 15.9 mm100 -66.07 -39.06 89.77 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.483 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 84.0 mm-40 -61.87 -48.16 81.77 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.237 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.06 -24.49 26.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.523 -176.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 61' ' ' PHE . 93.2 t -73.73 -23.84 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.407 0.622 . . . . 0.0 109.771 174.102 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -88.0 -36.05 17.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.35 0.595 . . . . 0.0 110.252 174.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.516 HD12 HD23 ' A' ' 72' ' ' LEU . 66.6 mt -89.76 29.4 1.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.086 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.582 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 99.3 mttt -34.51 108.62 0.07 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.356 0.662 . . . . 0.0 112.624 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.05 -18.34 26.23 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.823 -0.626 . . . . 0.0 113.179 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.473 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 32.3 mm-40 -95.17 142.19 27.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.0 t -77.67 114.72 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.173 175.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.516 HD23 HD12 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -112.21 113.77 26.19 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -178.32 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.821 ' HB2' ' HE ' ' A' ' 89' ' ' ARG . 32.5 p -91.26 121.95 33.46 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.062 0.458 . . . . 0.0 110.819 -176.559 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.455 HG21 HD23 ' A' ' 57' ' ' LEU . 4.0 p -116.65 131.12 70.2 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.883 0 CA-C-O 121.678 0.751 . . . . 0.0 110.113 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 20.1 ttt -114.86 124.96 53.07 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.838 -1.074 . . . . 0.0 109.726 -175.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -152.94 178.52 9.59 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.955 -172.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.59 ' HB3' ' HB3' ' A' ' 85' ' ' TRP . 10.8 mtm180 -106.56 107.16 18.03 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.019 0.437 . . . . 0.0 110.559 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.515 ' CD1' HG11 ' A' ' 33' ' ' VAL . 2.9 t80 -83.18 134.49 34.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.246 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.536 ' HG2' ' HA ' ' A' ' 83' ' ' GLN . 24.5 ttp180 -81.76 102.48 10.8 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.709 0.29 . . . . 0.0 110.842 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.498 ' HB3' ' HG2' ' A' ' 84' ' ' GLU . 47.8 t -58.55 173.54 0.39 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.97 172.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.44 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 18.9 tptm -70.99 -8.39 52.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.519 -173.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -99.12 9.16 44.04 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.536 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 2.2 mp0 64.31 44.42 4.31 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.849 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.498 ' HG2' ' HB3' ' A' ' 80' ' ' SER . 10.9 pt-20 -117.45 147.32 42.82 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.462 175.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.59 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 6.4 m95 -106.06 101.42 10.91 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 -172.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.547 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -104.11 157.28 17.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.742 0.306 . . . . 0.0 111.405 -176.397 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -78.47 110.68 13.77 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.233 0.54 . . . . 0.0 111.939 -173.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.574 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 2.3 tpp -121.57 130.84 53.78 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.122 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.821 ' HE ' ' HB2' ' A' ' 73' ' ' SER . 58.8 ttt180 -107.4 108.78 20.29 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 175.026 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.447 ' CG2' ' HB3' ' A' ' 108' ' ' CYS . 94.3 m -96.55 132.93 41.64 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.737 -177.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.519 ' OG ' ' HB ' ' A' ' 109' ' ' THR . 35.9 p -90.28 119.85 30.94 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 175.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.6 m -96.85 124.47 40.83 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.586 -175.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.661 ' HE2' ' HD1' ' A' ' 95' ' ' PHE . 61.7 t80 -127.25 135.02 50.03 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 171.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.682 ' HB ' HD12 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -93.19 111.29 22.89 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 109.722 -0.474 . . . . 0.0 109.722 174.725 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.661 ' HD1' ' HE2' ' A' ' 93' ' ' PHE . 9.8 t80 -72.86 95.26 1.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.178 0.513 . . . . 0.0 110.546 -174.232 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 . . . . . 0 C--N 1.321 -0.648 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.655 179.643 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.682 HD12 ' HB ' ' A' ' 94' ' ' THR . 49.4 mm . . . . . 0 N--CA 1.448 -0.55 0 CA-C-O 121.086 0.469 . . . . 0.0 109.943 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -58.45 -47.52 83.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.694 176.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.579 ' HE1' HD11 ' A' ' 107' ' ' ILE . 1.4 p90 179.97 -172.13 0.19 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 113.84 -1.527 . . . . 0.0 109.378 -178.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.462 HG13 ' HA ' ' A' ' 18' ' ' ILE . 45.3 mt -100.65 140.19 20.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.579 HD11 ' HE1' ' A' ' 105' ' ' TYR . 21.2 mm -110.38 111.48 36.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 178.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 91' ' ' SER . 57.0 m -121.75 121.93 38.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.3 0.571 . . . . 0.0 112.278 -172.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.519 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 30.5 m -93.48 121.19 34.63 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 169.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.574 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 4.0 m-20 -104.11 110.56 22.79 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -172.355 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.5 m -116.86 113.53 22.61 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.964 -177.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 88' ' ' MET . 2.6 t30 -83.14 128.94 34.93 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 18.4 t . . . . . 0 C--N 1.322 -0.625 0 CA-C-O 121.218 0.532 . . . . 0.0 109.68 -178.221 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.446 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 33.5 Cg_exo . . . . . 0 CA--C 1.532 0.377 0 CA-C-O 120.762 0.234 . . . . 0.0 112.099 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m -88.14 25.72 1.54 Allowed 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.437 0.637 . . . . 0.0 111.389 -175.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.517 ' HG2' ' HA ' ' A' ' 111' ' ' THR . 47.5 mt-10 -128.67 135.16 48.89 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 171.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.45 ' HE1' ' HE1' ' A' ' 88' ' ' MET . 40.4 p90 -137.49 144.51 42.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.079 0.466 . . . . 0.0 111.039 178.279 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -102.9 127.66 56.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.043 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.8 m -131.87 131.75 43.04 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.59 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.0 mtm-85 -101.11 121.17 41.34 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.482 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -135.65 149.79 49.41 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.673 -173.551 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -73.34 156.88 37.94 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.8 pt -53.01 -21.03 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -168.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.512 ' HB2' HG12 ' A' ' 21' ' ' ILE . 40.1 mt-10 -70.35 -18.87 63.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.137 0.494 . . . . 0.0 110.509 176.516 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.33 3.82 33.08 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.48 -173.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.512 HG12 ' HB2' ' A' ' 19' ' ' GLU . 39.2 mm -84.42 120.07 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 122.169 0.188 . . . . 0.0 111.12 -171.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -73.29 130.14 39.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.701 0.286 . . . . 0.0 110.915 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.5 t -120.98 -16.94 7.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.01 0.434 . . . . 0.0 110.523 177.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -149.69 124.54 9.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.407 . . . . 0.0 109.961 172.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.577 ' HB ' ' HA ' ' A' ' 37' ' ' PRO . 78.1 t -128.68 139.07 52.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.459 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -82.68 148.64 27.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.408 0.623 . . . . 0.0 110.943 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -59.11 -18.94 40.07 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 114.947 -1.024 . . . . 0.0 113.231 -172.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.446 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 84.9 mtm180 -64.25 -8.47 12.79 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 111.726 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.1 t -59.57 -34.44 72.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.89 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.9 m -66.51 -36.39 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.069 -175.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.6 -46.8 18.48 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.843 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.7 m -59.69 -49.5 77.5 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.6 HG11 ' CD1' ' A' ' 78' ' ' PHE . 16.6 m -129.53 -21.72 1.42 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.185 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -172.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.98 -21.69 26.87 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 119.486 -1.34 . . . . 0.0 113.041 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.52 ' H ' HG23 ' A' ' 33' ' ' VAL . 17.1 m-85 -72.03 150.47 43.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.134 0.492 . . . . 0.0 110.38 178.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -98.59 153.92 37.73 Favored Pre-proline 0 C--N 1.31 -1.115 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 176.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.635 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 88.0 Cg_exo -43.2 -49.56 7.17 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.065 1.843 . . . . 0.0 111.451 175.042 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -54.37 -41.01 68.69 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.747 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -64.08 -31.65 72.91 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.06 -171.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.0 mt -89.36 -22.71 22.47 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.661 -177.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 52.7 mt -61.98 106.28 0.69 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.159 0.504 . . . . 0.0 111.195 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.54 -8.42 40.46 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.344 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -112.42 150.8 30.64 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 121.056 0.455 . . . . 0.0 110.01 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.538 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 17.2 t-20 -87.51 145.81 26.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.924 -176.13 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.6 tt -62.34 -28.27 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.388 175.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.0 p -72.09 -22.09 20.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-O 120.882 0.373 . . . . 0.0 110.455 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.538 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 5.1 mm-40 -64.98 -39.61 93.73 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.351 0.596 . . . . 0.0 109.793 177.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.507 ' HB3' ' HB3' ' A' ' 79' ' ' ARG . 40.0 m-85 -105.12 20.77 18.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.996 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.456 ' SG ' HD12 ' A' ' 57' ' ' LEU . 36.1 t -97.8 129.59 44.78 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.985 174.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 60.3 t60 -48.5 125.77 12.51 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.95 177.158 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 50' ' ' HIS . 83.2 Cg_exo -48.93 -25.15 8.22 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 124.154 3.236 . . . . 0.0 114.474 -173.57 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -87.89 -10.17 51.5 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.371 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -112.36 -3.47 14.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.96 0.41 . . . . 0.0 110.049 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -59.77 -45.3 92.7 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.19 -175.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -69.32 -36.14 76.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.299 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.84 -41.66 87.45 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.223 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 76' ' ' PHE . 12.8 mt -65.07 -47.14 78.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.535 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 66.8 mtt180 -58.11 -52.94 63.44 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 120.847 0.356 . . . . 0.0 110.629 -178.136 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -54.53 -44.35 72.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.099 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.7 m -76.23 -33.62 59.21 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.352 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.531 ' O ' HG12 ' A' ' 64' ' ' VAL . 10.9 m-30 -69.3 -32.55 71.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.06 0.457 . . . . 0.0 109.94 176.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 15.7 mm100 -65.18 -37.34 87.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.12 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.42 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 75.3 mt-30 -73.95 -28.84 61.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.447 -178.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 61' ' ' PHE . 9.0 p -72.87 -26.04 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.381 175.215 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.494 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 58.4 t -75.68 -28.69 19.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 171.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 63' ' ' GLN . 62.9 mtpt -78.49 -23.99 46.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.904 176.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.889 ' HB3' ' HB2' ' A' ' 70' ' ' GLN . 32.3 mt -85.28 -51.61 6.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.509 176.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.787 ' HG2' HD11 ' A' ' 103' ' ' ILE . 98.4 mttt 62.28 95.24 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.523 0.678 . . . . 0.0 112.145 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.85 -11.12 70.05 Favored Glycine 0 C--N 1.317 -0.522 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.365 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.889 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 2.6 mp0 -94.16 137.89 32.82 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.0 p -76.58 121.08 27.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.399 0.619 . . . . 0.0 110.393 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.532 HD23 ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -108.84 114.79 28.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.115 -179.437 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.1 m -91.79 120.93 32.96 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.076 0.465 . . . . 0.0 110.108 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.93 137.33 55.1 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 CA-C-O 121.67 0.747 . . . . 0.0 109.684 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 26.0 ttt -117.39 130.29 56.4 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.108 -172.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.46 ' CD1' HD21 ' A' ' 57' ' ' LEU . 15.5 p90 -152.95 179.28 8.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.602 -173.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 23.6 mtp180 -103.8 106.43 16.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.058 0.456 . . . . 0.0 110.305 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.6 ' CD1' HG11 ' A' ' 33' ' ' VAL . 24.0 t80 -86.09 140.57 30.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.408 -177.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.591 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 5.1 ttm180 -78.72 114.94 18.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.179 0.514 . . . . 0.0 111.384 -177.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 t -64.61 168.55 5.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.635 172.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -65.29 -17.87 64.85 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 121.34 0.591 . . . . 0.0 109.931 176.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -86.42 -1.97 58.03 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.59 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 28.8 mm-40 67.82 23.88 8.35 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 113.508 -1.678 . . . . 0.0 111.275 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.591 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 32.7 mm-40 -82.55 172.57 12.84 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 166.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -128.53 95.12 4.04 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -174.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.582 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -96.43 157.98 15.65 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -170.005 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -75.65 105.38 6.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.217 -0.902 . . . . 0.0 111.885 -177.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.569 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 4.0 tpp -121.85 133.97 54.88 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.718 177.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -109.49 109.18 19.92 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 174.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.451 ' CG2' ' HB3' ' A' ' 108' ' ' CYS . 89.1 m -93.93 131.16 39.65 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.98 -174.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.7 m -88.92 112.53 23.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.165 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.467 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 4.2 m -90.25 129.21 36.52 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.617 -175.103 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.564 ' HE1' ' HD1' ' A' ' 95' ' ' PHE . 36.6 t80 -129.36 135.18 48.39 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 172.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.53 ' HB ' HD13 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -102.76 111.96 24.52 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.007 0.432 . . . . 0.0 110.517 176.858 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.564 ' HD1' ' HE1' ' A' ' 93' ' ' PHE . 27.0 t80 -79.03 116.73 19.51 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.561 -173.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.717 -177.695 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.787 HD11 ' HG2' ' A' ' 68' ' ' LYS . 67.1 mt . . . . . 0 N--CA 1.447 -0.612 0 CA-C-O 121.265 0.555 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.67 -41.28 16.45 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.931 -174.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -171.85 178.38 3.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.326 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.482 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 43.7 mt -105.18 143.26 16.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.64 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.3 mt -118.16 110.09 29.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.451 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 66.5 m -112.53 115.42 28.62 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.089 0.471 . . . . 0.0 112.246 -174.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.6 m -84.97 134.12 34.25 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 168.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.569 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 38.1 m-80 -115.32 111.36 20.76 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -171.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.517 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 37.6 m -108.3 107.83 18.59 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.352 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -79.36 117.29 20.2 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 31.8 t . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.958 -172.471 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 32.5 Cg_exo . . . . . 0 CA--C 1.531 0.365 0 CA-C-O 120.767 0.236 . . . . 0.0 112.308 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.444 ' HB ' ' HB3' ' A' ' 112' ' ' ASN . 5.6 p -88.64 28.76 1.08 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.041 0.448 . . . . 0.0 111.892 -178.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -137.22 134.32 36.11 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 172.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -136.53 147.5 47.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.074 0.464 . . . . 0.0 110.544 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.5 mt -107.22 130.13 59.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.3 m -136.15 149.89 48.82 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.109 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.583 ' HG2' HG12 ' A' ' 107' ' ' ILE . 99.3 mtt180 -110.48 130.71 55.5 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 176.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.518 ' HB3' ' HA ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -149.23 152.78 36.58 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.833 -172.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -76.56 157.0 32.38 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.499 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 32.2 pt -50.08 -30.24 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -165.254 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -81.21 2.6 27.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.335 0.588 . . . . 0.0 110.67 -177.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.91 5.4 50.56 Favored Glycine 0 N--CA 1.439 -1.13 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.821 175.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.9 mm -78.4 108.62 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 116.71 0.255 . . . . 0.0 110.896 -175.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.518 ' HA ' ' HB3' ' A' ' 16' ' ' HIS . 95.4 m-85 -71.48 122.96 21.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.814 0.34 . . . . 0.0 111.41 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 p -105.51 -27.51 11.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.723 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -140.0 117.84 11.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.236 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.706 HG21 ' HB3' ' A' ' 40' ' ' LEU . 94.7 t -124.14 135.45 63.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.701 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.419 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 13.1 t70 -81.76 149.45 28.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.53 0.681 . . . . 0.0 110.559 175.23 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.417 ' O ' HG22 ' A' ' 30' ' ' VAL . 18.8 m80 -58.79 -20.48 50.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.724 -1.125 . . . . 0.0 112.295 -173.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.43 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 91.1 mtt180 -66.31 -6.6 14.61 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.09 0.471 . . . . 0.0 111.18 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.446 ' SG ' HD22 ' A' ' 40' ' ' LEU . 44.8 t -60.24 -35.72 76.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.149 176.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.762 HG12 ' HA ' ' A' ' 36' ' ' GLN . 12.4 m -65.97 -33.29 62.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.547 -175.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.56 -51.4 9.35 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.901 0.381 . . . . 0.0 110.411 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 m -56.43 -55.76 29.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.839 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.0 m -133.86 20.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -168.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.0 -37.26 1.93 Allowed Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.36 -0.924 . . . . 0.0 114.416 174.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -70.55 137.16 49.88 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 121.421 0.629 . . . . 0.0 111.037 -173.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.762 ' HA ' HG12 ' A' ' 30' ' ' VAL . 50.2 mm-40 -75.99 154.24 84.78 Favored Pre-proline 0 C--N 1.31 -1.144 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 176.073 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.702 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 4.2 Cg_exo -44.37 -51.23 7.13 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 121.869 1.713 . . . . 0.0 110.978 175.632 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.446 ' CD ' ' H ' ' A' ' 38' ' ' GLN . 20.5 mp0 -59.77 -44.8 93.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.723 178.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -56.76 -33.87 67.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.762 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.706 ' HB3' HG21 ' A' ' 25' ' ' VAL . 13.9 tp -87.9 -25.62 23.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.735 -175.469 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 81.7 mt -59.45 117.77 5.24 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.465 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.74 -9.06 64.02 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.255 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -104.32 148.18 26.67 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.633 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 8.3 m120 -81.81 142.68 32.35 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.323 176.58 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.515 ' HB ' ' CE1' ' A' ' 22' ' ' PHE . 12.0 tt -62.47 -26.54 40.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.944 171.388 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.616 HG12 ' HB3' ' A' ' 44' ' ' ASN . 9.9 p -75.59 -23.8 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.659 178.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.633 ' HG2' ' HB2' ' A' ' 44' ' ' ASN . 62.6 mm-40 -71.5 -19.46 62.19 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.443 0.64 . . . . 0.0 110.179 178.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -120.61 33.93 5.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.553 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.4 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 48.9 t -108.81 143.76 37.55 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.496 176.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.644 ' NE2' ' HB2' ' A' ' 52' ' ' GLU . 49.5 t60 -49.14 117.71 6.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 167.031 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.422 ' HA ' ' CD ' ' A' ' 54' ' ' GLN . 86.6 Cg_exo -48.47 -32.96 21.91 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 124.126 3.217 . . . . 0.0 114.7 -171.409 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.644 ' HB2' ' NE2' ' A' ' 50' ' ' HIS . 32.5 mt-10 -81.98 -4.95 57.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.765 0.316 . . . . 0.0 111.261 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.45 ' CG ' ' HD2' ' A' ' 50' ' ' HIS . 84.4 m-20 -111.8 -1.23 15.66 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 176.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.422 ' CD ' ' HA ' ' A' ' 51' ' ' PRO . 66.8 mt-30 -68.65 -33.54 74.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.394 -178.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -72.17 -33.33 67.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.198 171.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.46 HD22 HG23 ' A' ' 74' ' ' VAL . 1.0 OUTLIER -59.58 -51.03 71.58 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.396 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.4 HD21 ' CD1' ' A' ' 76' ' ' PHE . 26.8 mt -60.23 -49.43 77.64 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.678 175.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.661 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 61.2 ttt180 -50.0 -56.65 9.86 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.702 0.626 . . . . 0.0 110.39 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.28 -49.02 79.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.504 -177.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.5 m -71.07 -27.83 63.91 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.321 -171.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.415 ' O ' HG23 ' A' ' 65' ' ' VAL . 4.9 m-30 -69.3 -33.5 73.27 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 175.006 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.661 ' HG3' ' O ' ' A' ' 58' ' ' ARG . 28.6 mt-30 -61.29 -44.29 97.47 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.425 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 2.9 mp0 -57.5 -45.45 84.91 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.518 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.438 HG11 ' HB3' ' A' ' 92' ' ' SER . 9.6 p -69.34 -29.66 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 119.901 -0.719 . . . . 0.0 111.215 -177.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.591 ' HA ' HG21 ' A' ' 94' ' ' THR . 89.3 t -74.21 -22.89 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.321 0.582 . . . . 0.0 110.121 176.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -91.9 -24.56 19.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.336 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.575 HD12 HD23 ' A' ' 72' ' ' LEU . 26.8 mt -77.77 -41.95 35.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.466 174.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.784 ' HG2' HD11 ' A' ' 103' ' ' ILE . 94.3 mttt 57.69 97.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.985 0.803 . . . . 0.0 113.048 174.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.56 2.97 72.18 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.186 176.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.498 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 26.1 mm-40 -110.91 142.02 43.55 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.174 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 92' ' ' SER . 7.2 p -77.59 124.1 35.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.33 0.586 . . . . 0.0 110.85 -178.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.575 HD23 HD12 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -114.24 113.76 25.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.48 -0.782 . . . . 0.0 108.978 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.432 ' HB3' ' HD2' ' A' ' 89' ' ' ARG . 47.4 m -94.16 121.16 35.37 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.593 -176.27 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.46 HG23 HD22 ' A' ' 56' ' ' LEU . 4.3 p -121.82 130.97 74.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.693 0.758 . . . . 0.0 110.247 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 21.1 ttt -115.25 126.08 54.1 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.377 -172.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.4 ' CD1' HD21 ' A' ' 57' ' ' LEU . 15.9 p90 -154.84 179.21 9.32 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.074 -172.245 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.594 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 44.1 mtt180 -98.83 109.9 22.59 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 177.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.459 ' O ' ' HA ' ' A' ' 85' ' ' TRP . 8.1 t80 -85.94 129.36 34.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.694 -176.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -84.14 97.91 9.61 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.062 0.458 . . . . 0.0 110.62 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.0 t -61.71 174.13 0.86 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.695 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 81' ' ' LYS . 45.2 tptt -61.62 -15.02 35.7 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.154 0.502 . . . . 0.0 111.131 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -95.83 2.81 53.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.695 -177.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 67.63 31.36 6.11 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.242 -175.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -101.09 132.26 46.62 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.896 176.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.459 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 17.4 m0 -108.11 81.56 1.51 Allowed 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.632 -0.427 . . . . 0.0 109.934 -171.154 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.594 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.0 OUTLIER -88.06 171.27 10.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.944 -173.078 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -84.48 106.43 16.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.463 0.649 . . . . 0.0 111.118 -176.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.56 ' HE1' ' HB3' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -126.9 138.03 53.24 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.292 -176.854 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.432 ' HD2' ' HB3' ' A' ' 73' ' ' SER . 43.5 ttp180 -111.02 119.0 37.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.001 0.429 . . . . 0.0 110.02 177.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.403 HG23 ' HB2' ' A' ' 108' ' ' CYS . 97.9 m -94.9 123.19 38.23 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.711 177.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.465 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 9.0 m -91.91 115.29 27.93 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 176.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.483 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 3.6 m -95.07 123.0 38.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.688 -173.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.528 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 53.3 t80 -121.86 134.56 54.88 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 171.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.591 HG21 ' HA ' ' A' ' 65' ' ' VAL . 1.0 OUTLIER -103.03 113.67 27.33 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.08 175.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.528 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 31.2 t80 -75.85 95.1 3.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.235 0.54 . . . . 0.0 111.175 -172.317 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 . . . . . 0 N--CA 1.445 -0.676 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.249 169.099 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.784 HD11 ' HG2' ' A' ' 68' ' ' LYS . 51.8 mt . . . . . 0 CA--C 1.511 -0.549 0 CA-C-O 121.441 0.639 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.448 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 4.1 pt-20 -85.35 -37.64 19.67 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.122 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.425 ' CD2' ' HG3' ' A' ' 104' ' ' GLU . 22.5 p90 -167.19 177.58 6.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 63.1 mt -104.62 145.65 12.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.599 178.041 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.583 HG12 ' HG2' ' A' ' 15' ' ' ARG . 58.7 mt -115.27 113.25 42.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 174.329 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 91' ' ' SER . 22.3 p -109.66 126.18 53.39 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.372 0.606 . . . . 0.0 111.437 -174.023 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.432 ' HB ' ' HB2' ' A' ' 91' ' ' SER . 7.4 m -93.85 118.01 30.88 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 170.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.56 ' HB3' ' HE1' ' A' ' 88' ' ' MET . 37.7 m-80 -109.11 110.52 21.78 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.196 -172.204 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.0 m -114.57 130.16 56.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.082 -175.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.444 ' HB3' ' HB ' ' A' ' 10' ' ' THR . 64.0 t30 -87.06 111.53 20.99 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 33.3 t . . . . . 0 C--N 1.323 -0.575 0 CA-C-O 121.069 0.461 . . . . 0.0 109.927 -178.961 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 31.8 Cg_exo . . . . . 0 CA--C 1.532 0.383 0 N-CA-C 111.744 -0.137 . . . . 0.0 111.744 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.3 p -89.15 31.7 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.375 0.607 . . . . 0.0 111.177 -179.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 36.5 tt0 -140.2 134.29 30.93 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.667 ' HB3' ' HB2' ' A' ' 28' ' ' ARG . 32.2 p90 -139.35 141.54 37.64 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.303 0.573 . . . . 0.0 111.267 -178.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.6 mt -93.58 138.23 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.182 177.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 p -143.64 147.92 35.05 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.172 0.51 . . . . 0.0 111.76 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.473 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 7.7 mtp180 -110.48 121.31 45.0 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 175.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.438 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -135.99 157.76 46.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.605 0.717 . . . . 0.0 112.625 -173.206 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.727 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 1.2 t-20 -69.04 148.31 50.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 113.804 -1.544 . . . . 0.0 109.761 176.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.5 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 35.7 pt -49.01 -29.71 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 O-C-N 124.519 1.137 . . . . 0.0 114.053 -170.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -81.91 -6.12 58.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.703 0.287 . . . . 0.0 111.471 -178.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.406 ' HA2' ' CD2' ' A' ' 16' ' ' HIS . . . 107.69 10.72 26.34 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.713 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.727 ' HB ' ' HB3' ' A' ' 17' ' ' ASN . 47.9 mm -81.11 123.08 37.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.999 0.399 . . . . 0.0 110.617 -174.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.614 ' CE2' ' HB ' ' A' ' 45' ' ' ILE . 63.3 m-85 -74.56 118.23 17.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.169 0.509 . . . . 0.0 111.469 -178.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.6 m -107.92 -31.56 7.94 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.12 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.473 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 89.5 t80 -145.74 125.89 13.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.123 176.069 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.58 137.56 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.758 0.313 . . . . 0.0 110.952 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.586 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 13.4 t70 -72.81 149.4 43.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.463 0.649 . . . . 0.0 111.338 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -50.1 -25.33 3.38 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.438 -1.255 . . . . 0.0 113.012 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.667 ' HB2' ' HB3' ' A' ' 12' ' ' PHE . 39.7 mtt180 -63.8 -12.46 35.87 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -175.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.5 t -56.1 -36.58 68.31 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.994 0.426 . . . . 0.0 111.688 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.814 HG12 ' HA ' ' A' ' 36' ' ' GLN . 5.2 m -64.96 -37.92 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 -175.281 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.2 -46.94 16.9 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.369 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.465 HG23 ' HB2' ' A' ' 112' ' ' ASN . 17.2 m -50.77 -50.19 56.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.498 177.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.634 HG11 ' CD1' ' A' ' 78' ' ' PHE . 18.4 m -132.27 -30.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -174.59 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.441 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 123.13 -26.11 6.2 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 119.827 -1.178 . . . . 0.0 113.362 -177.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.505 ' H ' HG23 ' A' ' 33' ' ' VAL . 24.3 m-85 -72.13 138.91 48.04 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.654 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.814 ' HA ' HG12 ' A' ' 30' ' ' VAL . 9.3 mm100 -82.64 152.75 67.18 Favored Pre-proline 0 C--N 1.312 -1.037 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 174.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.708 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 80.1 Cg_exo -44.2 -50.53 7.63 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.004 1.802 . . . . 0.0 110.896 175.431 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.405 ' HG2' ' H ' ' A' ' 38' ' ' GLN . 13.4 mm-40 -52.86 -50.76 63.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.605 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -62.73 -31.95 72.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.579 -174.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 tp -82.9 -27.73 30.46 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.383 -176.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 81.0 mt -59.36 111.78 1.5 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.641 178.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.88 -22.1 15.0 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.223 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 8.0 mmpt? -97.13 138.72 34.2 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.607 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 31.1 t-20 -75.92 140.11 41.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.917 175.287 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.614 ' HB ' ' CE2' ' A' ' 22' ' ' PHE . 14.7 tt -59.31 -26.94 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.635 175.279 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.407 HG12 ' CG ' ' A' ' 44' ' ' ASN . 2.5 p -77.78 -16.45 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.929 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.607 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 55.8 mm-40 -66.43 -42.9 87.02 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.363 0.601 . . . . 0.0 109.706 175.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.673 ' HB3' ' HB3' ' A' ' 79' ' ' ARG . 43.8 m-85 -100.29 23.54 9.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.962 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 47.4 t -97.09 134.88 39.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.381 173.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.771 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 15.7 t-80 -56.61 127.8 73.78 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.29 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -52.69 -19.32 10.34 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 123.925 3.083 . . . . 0.0 115.159 -171.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.52 ' HG2' ' ND1' ' A' ' 50' ' ' HIS . 11.8 pt-20 -92.88 -14.21 27.94 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.847 -0.533 . . . . 0.0 111.015 -177.252 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.704 ' OD1' ' HB3' ' A' ' 50' ' ' HIS . 0.6 OUTLIER -120.47 8.51 10.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.415 0.626 . . . . 0.0 110.145 -177.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -64.34 -32.4 73.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.818 173.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -63.22 -35.08 79.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.145 176.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.98 -48.31 79.39 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.345 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 57' ' ' LEU . 17.4 mt -61.37 -40.5 94.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.747 176.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -59.98 -60.21 4.2 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.526 0.203 . . . . 0.0 110.563 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.679 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 26.6 t70 -61.17 -46.08 91.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.607 -177.021 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 98.0 p -65.05 -44.08 90.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.131 0.491 . . . . 0.0 111.384 -172.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.542 ' O ' HG23 ' A' ' 65' ' ' VAL . 10.2 m-30 -61.42 -39.97 92.72 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.202 178.046 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.524 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 9.3 mm100 -65.71 -40.77 92.57 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.711 176.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.679 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 84.8 mm-40 -63.04 -46.56 86.97 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.449 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.588 HG11 ' OG ' ' A' ' 92' ' ' SER . 7.8 p -67.7 -25.19 32.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.808 0.337 . . . . 0.0 111.121 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.796 ' HA ' HG21 ' A' ' 94' ' ' THR . 74.8 t -69.74 -32.87 53.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.54 0.686 . . . . 0.0 109.344 173.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 54.5 mtpt -80.12 -33.6 38.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.285 175.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 62.0 mt -86.03 30.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.704 -179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.87 ' HG2' HD11 ' A' ' 103' ' ' ILE . 96.7 mttt -28.06 108.71 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.56 -21.91 31.6 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.865 174.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -90.88 138.04 31.9 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.647 0.261 . . . . 0.0 110.42 -176.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.57 124.51 36.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.121 0.486 . . . . 0.0 110.259 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.411 HD13 HD12 ' A' ' 67' ' ' LEU . 12.9 tp -124.84 114.35 19.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.997 -176.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.496 ' HA ' ' HA ' ' A' ' 91' ' ' SER . 19.4 m -99.82 121.24 41.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.176 0.512 . . . . 0.0 111.08 -175.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.3 p -118.15 138.23 49.51 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.658 0 CA-C-O 121.861 0.838 . . . . 0.0 110.493 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 19.3 ttt -106.42 129.62 54.37 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.616 -175.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.472 ' CZ ' HD11 ' A' ' 45' ' ' ILE . 26.7 p90 -153.59 178.85 9.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.434 -176.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.771 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 17.4 mtt180 -105.83 110.42 22.71 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.64 0.257 . . . . 0.0 110.476 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CD1' HG11 ' A' ' 33' ' ' VAL . 3.3 t80 -84.89 136.74 33.51 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.742 ' HG2' ' HA ' ' A' ' 83' ' ' GLN . 36.8 ttt180 -83.17 106.72 15.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.234 0.54 . . . . 0.0 111.148 179.126 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.505 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 29.7 t -53.94 166.54 0.35 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.105 170.212 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.441 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 23.9 tptp -65.23 -10.53 32.59 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.359 0.599 . . . . 0.0 110.354 177.09 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -90.97 -1.43 57.82 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.742 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 27.8 mm-40 65.94 27.72 10.75 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 113.687 -1.597 . . . . 0.0 110.853 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.608 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 34.3 mm-40 -91.43 164.12 13.94 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.573 171.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.468 ' CG ' ' HD2' ' A' ' 50' ' ' HIS . 73.2 m95 -117.81 88.35 2.9 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.463 -173.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.489 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.2 pp -93.96 168.58 10.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.43 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -88.65 130.97 35.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.269 0.556 . . . . 0.0 110.876 -176.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.532 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 1.4 ttp -141.7 132.49 25.76 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.844 173.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -107.56 111.25 23.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.574 0.702 . . . . 0.0 109.392 174.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.8 m -96.58 130.35 43.78 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.948 -177.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.496 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 47.6 m -95.2 128.05 41.73 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.064 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.588 ' OG ' HG11 ' A' ' 64' ' ' VAL . 9.2 t -103.1 156.54 17.62 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.476 0.655 . . . . 0.0 110.686 -176.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 70.9 t80 -151.91 135.34 16.05 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.391 -1.277 . . . . 0.0 108.338 176.424 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.796 HG21 ' HA ' ' A' ' 65' ' ' VAL . 1.3 p -102.43 106.38 17.11 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 120.996 0.426 . . . . 0.0 110.321 177.052 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.485 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 18.1 t80 -69.86 111.86 5.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.133 -175.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.077 -179.904 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.87 HD11 ' HG2' ' A' ' 68' ' ' LYS . 61.5 mt . . . . . 0 CA--C 1.51 -0.59 0 CA-C-O 121.504 0.669 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -69.65 -48.35 60.17 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.19 -1.368 . . . . 0.0 109.424 -177.854 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -172.94 173.38 3.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.249 -176.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.5 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 44.6 mt -97.95 140.2 18.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 59.8 mt -112.79 108.85 26.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.0 p -106.47 117.46 34.1 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.237 0.541 . . . . 0.0 111.303 -176.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.0 m -93.66 120.43 33.92 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 173.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.532 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 35.4 m-80 -104.99 110.23 22.54 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -170.489 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 54.3 m -103.8 114.0 27.93 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.455 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.465 ' HB2' HG23 ' A' ' 32' ' ' THR . 46.2 t30 -74.54 110.56 8.94 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.148 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.441 -0.888 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.852 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 22.9 Cg_exo . . . . . 0 CA--C 1.53 0.301 0 N-CA-C 111.688 -0.158 . . . . 0.0 111.688 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.54 34.09 0.76 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.512 0.672 . . . . 0.0 111.376 -175.029 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 26.9 tt0 -142.82 134.18 26.2 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 173.11 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -128.04 143.16 51.07 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.955 -178.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.1 mt -97.22 126.91 49.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.258 174.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.7 p -136.3 145.44 45.52 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.428 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.536 ' HD2' ' CE1' ' A' ' 105' ' ' TYR . 72.7 mtm180 -119.96 129.75 54.46 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.656 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 1.7 p-80 -134.82 162.39 32.51 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.144 0.497 . . . . 0.0 111.722 -174.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.27 154.2 39.06 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.5 pt -49.43 -27.61 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -168.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -73.23 -15.57 61.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.992 0.425 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.6 14.57 19.37 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.244 -176.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.6 mm -91.53 117.32 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 -175.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.457 ' CD2' ' HG ' ' A' ' 40' ' ' LEU . 88.4 m-85 -67.07 135.33 53.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.006 0.431 . . . . 0.0 111.729 -176.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.2 t -122.87 -28.39 4.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.08 177.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -139.8 121.84 15.71 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.481 176.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.7 t -124.72 133.72 68.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.239 178.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -83.58 148.92 26.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.395 0.617 . . . . 0.0 110.998 176.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.539 ' O ' HG22 ' A' ' 30' ' ' VAL . 51.9 m80 -48.56 -27.05 2.51 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 114.749 -1.114 . . . . 0.0 113.808 -174.077 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.852 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 77.7 mtt85 -61.78 -11.27 11.61 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -176.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 27.8 t -62.43 -33.32 74.57 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.761 0.315 . . . . 0.0 111.494 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 27' ' ' HIS . 30.3 m -60.35 -43.27 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.972 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.426 ' N ' HG23 ' A' ' 30' ' ' VAL . . . -74.54 -49.7 20.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.784 -176.131 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.2 m -53.26 -47.54 69.02 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.613 HG11 ' CD2' ' A' ' 78' ' ' PHE . 15.8 m -135.81 -29.15 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -173.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.405 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 112.94 -0.61 25.7 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 119.558 -1.306 . . . . 0.0 113.237 -178.185 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.546 ' H ' HG23 ' A' ' 33' ' ' VAL . 17.9 m-85 -90.49 114.78 27.04 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.12 175.265 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.437 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -68.06 144.55 97.09 Favored Pre-proline 0 C--N 1.31 -1.145 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 173.909 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.731 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 59.7 Cg_exo -41.6 -44.75 6.35 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.766 2.311 . . . . 0.0 113.528 -174.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -59.94 -42.79 94.78 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.884 0.373 . . . . 0.0 111.067 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -73.24 -2.59 22.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.795 -172.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.457 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 15.1 tp -111.74 -25.48 9.47 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.894 0.378 . . . . 0.0 110.476 177.308 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.731 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 85.1 mt -62.24 130.5 45.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.563 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.34 -21.9 42.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.548 174.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -108.39 155.67 20.29 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.628 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 8.0 t-20 -81.77 147.01 29.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 -175.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.472 HG13 ' HE1' ' A' ' 78' ' ' PHE . 12.4 tt -59.68 -38.35 75.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.379 174.133 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.546 ' HA ' ' HB2' ' A' ' 49' ' ' CYS . 97.8 t -67.16 -23.2 30.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.059 -176.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.628 ' HG3' ' HB3' ' A' ' 44' ' ' ASN . 43.4 mt-10 -67.71 -32.16 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.268 0.556 . . . . 0.0 109.993 178.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -104.49 20.25 18.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.034 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.546 ' HB2' ' HA ' ' A' ' 46' ' ' VAL . 46.1 m -109.57 129.73 55.56 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.775 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.408 ' ND1' ' HD2' ' A' ' 51' ' ' PRO . 57.9 t60 -49.44 125.01 15.31 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.29 -177.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.408 ' HD2' ' ND1' ' A' ' 50' ' ' HIS . 85.4 Cg_exo -49.62 -24.28 9.24 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 124.174 3.249 . . . . 0.0 114.864 -174.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -85.93 -8.06 58.26 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 122.26 -0.275 . . . . 0.0 111.244 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -112.91 7.98 18.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.033 0.444 . . . . 0.0 110.374 -176.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.512 ' HG2' HG13 ' A' ' 46' ' ' VAL . 74.9 mt-30 -70.06 -31.3 68.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.914 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.29 -46.23 81.23 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.2 mt -51.64 -50.55 60.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.803 173.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.47 HD11 ' SG ' ' A' ' 49' ' ' CYS . 96.2 mt -61.01 -41.52 96.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.148 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 83.6 mtt180 -55.69 -60.5 3.36 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.175 0.512 . . . . 0.0 110.047 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.503 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 11.3 t70 -58.3 -46.32 86.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.918 -173.519 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 65.6 p -68.19 -50.32 55.02 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.378 0.608 . . . . 0.0 111.041 -175.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.581 ' O ' HG23 ' A' ' 65' ' ' VAL . 12.5 m-30 -65.2 -37.55 87.66 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.103 -176.021 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 3.5 pt20 -77.08 -30.23 55.36 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.047 0.451 . . . . 0.0 110.463 -177.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 59' ' ' ASP . 93.7 mt-30 -78.95 -30.64 44.69 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.087 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' A' ' 92' ' ' SER . 9.9 p -72.87 -23.6 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.221 176.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.719 ' HA ' HG21 ' A' ' 94' ' ' THR . 79.8 t -69.81 -33.9 58.13 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 170.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -76.32 -32.42 58.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.455 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.63 HD12 HD13 ' A' ' 72' ' ' LEU . 47.0 mt -91.42 30.11 1.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.772 -178.008 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.613 ' HG2' HD11 ' A' ' 103' ' ' ILE . 99.4 mttt -31.26 115.45 0.14 Allowed 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -179.039 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.9 -16.37 55.99 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.162 -0.927 . . . . 0.0 112.351 176.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.462 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 45.8 mt-30 -99.73 137.55 38.04 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.544 ' HA ' ' O ' ' A' ' 92' ' ' SER . 41.5 t -83.96 128.04 39.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.003 178.116 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.63 HD13 HD12 ' A' ' 67' ' ' LEU . 10.6 tp -114.95 123.0 47.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.061 -177.208 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.9 t -96.04 122.23 38.64 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.881 0.372 . . . . 0.0 111.023 -174.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.6 p -132.4 136.8 55.64 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.596 0 CA-C-O 121.725 0.774 . . . . 0.0 110.378 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 23.8 ttt -110.93 129.91 55.74 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.578 -174.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.458 ' HE1' ' HG1' ' A' ' 90' ' ' THR . 32.4 p90 -154.08 178.92 9.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.725 -174.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 45.1 mtm180 -111.33 130.13 55.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.127 0.489 . . . . 0.0 111.2 178.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.613 ' CD2' HG11 ' A' ' 33' ' ' VAL . 10.5 t80 -105.86 146.61 29.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.594 -174.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -82.0 102.96 11.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.064 0.459 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.405 ' HB3' ' CG ' ' A' ' 84' ' ' GLU . 38.8 t -56.78 165.82 1.11 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.062 171.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.405 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 21.6 tptp -67.81 -9.05 41.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.702 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -98.96 6.94 46.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.765 178.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 68.57 19.5 8.64 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.319 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.405 ' CG ' ' HB3' ' A' ' 80' ' ' SER . 11.7 pt-20 -95.93 155.15 16.87 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.441 ' O ' ' HD2' ' A' ' 77' ' ' ARG . 75.2 m95 -116.18 97.95 6.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.957 0.408 . . . . 0.0 110.542 -172.198 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.549 HD11 HG12 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -97.43 168.05 10.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.704 -175.038 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -89.63 123.65 33.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.864 -175.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 9.3 ptp -137.03 150.66 48.23 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.297 171.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 89' ' ' ARG . 39.2 ttm180 -118.36 114.31 22.74 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 176.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.458 ' HG1' ' HE1' ' A' ' 76' ' ' PHE . 36.4 m -94.86 134.75 37.15 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.678 -175.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.4 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 14.6 m -92.55 116.76 29.29 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.976 174.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.544 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 5.9 m -93.59 130.9 39.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.465 -174.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -135.53 135.42 40.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.587 173.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.719 HG21 ' HA ' ' A' ' 65' ' ' VAL . 2.4 p -104.96 113.17 26.6 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.458 176.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -75.2 126.16 30.44 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 -176.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 . . . . . 0 C--N 1.321 -0.656 0 CA-C-O 121.362 0.601 . . . . 0.0 112.112 -171.981 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.687 HD12 ' HB ' ' A' ' 94' ' ' THR . 47.2 mm . . . . . 0 CA--C 1.513 -0.47 0 CA-C-O 120.734 0.302 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.426 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 5.9 pt-20 -74.08 -39.46 63.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.324 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.536 ' CE1' ' HD2' ' A' ' 15' ' ' ARG . 15.1 p90 -165.07 165.89 19.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.544 178.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.656 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 50.5 mt -104.8 141.53 20.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.442 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 62.0 mt -112.24 112.3 39.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.447 ' HG ' ' CE1' ' A' ' 16' ' ' HIS . 2.0 p -105.26 109.32 21.26 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.357 0.598 . . . . 0.0 110.959 -178.351 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.6 m -89.52 114.68 26.25 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 172.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -106.3 111.44 24.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.844 0.354 . . . . 0.0 110.233 -170.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.1 m -109.13 113.43 26.27 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.86 -176.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -82.45 131.64 35.22 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.448 -0.542 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.492 -176.896 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.82 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 23.7 Cg_exo . . . . . 0 N--CA 1.474 0.331 0 CA-C-O 120.655 0.19 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.5 m -83.9 10.6 9.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.606 0.717 . . . . 0.0 111.207 -174.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.651 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 8.5 pt-20 -126.42 134.36 51.02 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 173.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.437 ' CB ' ' HB2' ' A' ' 28' ' ' ARG . 37.9 p90 -119.88 143.05 48.14 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.296 -177.033 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.3 mt -93.55 115.06 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.067 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.4 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . 47.9 t -108.11 132.32 53.71 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.744 -174.032 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.479 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 7.6 mpt_? -105.41 113.77 27.55 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 173.41 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.406 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -140.51 151.49 44.83 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.059 -174.007 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -77.02 158.9 30.29 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.517 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 35.3 pt -49.99 -28.4 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -167.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.578 ' HB2' HG12 ' A' ' 21' ' ' ILE . 39.1 mt-10 -70.01 -13.54 62.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.83 0.348 . . . . 0.0 111.046 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.99 7.8 46.36 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -174.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.578 HG12 ' HB2' ' A' ' 19' ' ' GLU . 29.1 mm -86.55 124.23 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 -173.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CD2' ' HG ' ' A' ' 40' ' ' LEU . 90.8 m-85 -72.17 127.57 32.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.821 0.344 . . . . 0.0 111.484 -176.062 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 p -112.05 -35.2 5.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.041 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.479 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 70.8 t80 -144.67 121.84 11.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 0.0 110.113 177.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.426 ' HB ' ' HA ' ' A' ' 37' ' ' PRO . 90.4 t -122.23 137.73 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.939 0.4 . . . . 0.0 110.989 -177.158 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.606 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 11.6 t70 -81.42 149.23 28.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.75 176.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.5 ' O ' HG22 ' A' ' 30' ' ' VAL . 28.9 m170 -52.58 -20.71 3.19 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.82 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 90.5 mtt180 -57.47 -18.13 16.86 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.1 t -54.6 -35.01 62.91 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -176.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 27' ' ' HIS . 19.7 m -68.13 -31.39 51.53 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-O 120.888 0.375 . . . . 0.0 111.076 -178.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.9 -51.91 16.76 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.672 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.523 HG22 HG13 ' A' ' 33' ' ' VAL . 9.2 m -62.11 -56.07 22.55 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.586 HG11 ' CD1' ' A' ' 78' ' ' PHE . 16.6 m -136.78 22.91 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -170.393 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.4 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 75.35 -26.58 1.27 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 114.863 0.705 . . . . 0.0 114.863 172.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -70.91 146.04 49.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 117.58 0.69 . . . . 0.0 111.37 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.48 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 8.9 mm-40 -89.53 150.43 44.36 Favored Pre-proline 0 C--N 1.316 -0.869 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 172.464 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.757 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 84.9 Cg_exo -44.58 -51.2 7.4 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.347 2.032 . . . . 0.0 112.202 -178.135 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -54.94 -46.77 75.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.495 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.48 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 7.1 mm-40 -66.59 -22.38 66.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.782 -172.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.594 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 14.5 tp -90.45 -31.88 16.63 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.244 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.757 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 74.4 mt -60.41 120.39 9.8 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.94 -18.89 23.72 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.685 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.751 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -99.62 155.29 17.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.901 0.381 . . . . 0.0 110.62 178.746 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -90.69 144.06 26.11 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 170.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.49 HD11 ' HZ ' ' A' ' 76' ' ' PHE . 13.2 tt -57.89 -30.17 37.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.045 0.45 . . . . 0.0 110.031 175.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.488 HG13 ' HG2' ' A' ' 54' ' ' GLN . 95.4 t -61.66 -32.86 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.356 175.324 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.8 -35.29 80.13 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.09 0.472 . . . . 0.0 111.165 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -105.37 17.04 24.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.113 178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 53' ' ' ASP . 38.9 t -94.44 132.83 38.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.782 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.465 ' HB3' ' OD2' ' A' ' 53' ' ' ASP . 60.5 t60 -45.01 126.18 5.37 Favored Pre-proline 0 CA--C 1.53 0.184 0 O-C-N 123.879 0.737 . . . . 0.0 110.189 174.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.405 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 86.2 Cg_exo -49.36 -25.44 10.15 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 124.001 3.134 . . . . 0.0 114.929 -170.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -84.98 -10.35 57.12 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.48 -178.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.465 ' OD2' ' HB3' ' A' ' 50' ' ' HIS . 38.3 m-20 -109.0 -5.04 16.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.732 0.301 . . . . 0.0 110.333 -172.011 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.488 ' HG2' HG13 ' A' ' 46' ' ' VAL . 75.9 mt-30 -59.46 -38.78 81.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.985 0.422 . . . . 0.0 111.799 -176.209 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -38.43 78.85 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.4 tt -61.89 -43.24 99.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.513 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.76 -41.67 95.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.895 176.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.512 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 69.6 mtt85 -58.26 -50.79 72.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.916 0.388 . . . . 0.0 110.278 178.253 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.68 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 29.5 t70 -63.59 -39.45 94.42 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.179 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.0 p -65.06 -43.83 91.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.511 0.672 . . . . 0.0 110.239 -175.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 65' ' ' VAL . 11.6 m-85 -68.27 -40.48 81.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.658 -179.004 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.554 ' HG2' ' HA ' ' A' ' 59' ' ' ASP . 7.5 pt20 -73.94 -29.26 61.92 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.681 -177.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.68 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 76.3 mm-40 -63.72 -44.81 92.47 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.831 176.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 61' ' ' PHE . 9.4 p -69.68 -24.25 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.662 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 61' ' ' PHE . 81.3 t -71.09 -32.09 46.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.452 0.644 . . . . 0.0 109.688 173.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -74.02 -38.54 64.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.228 174.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.524 ' HB3' ' HB3' ' A' ' 70' ' ' GLN . 93.1 mt -71.47 -55.63 7.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.47 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.519 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 98.4 mttt 58.6 98.39 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.613 0.72 . . . . 0.0 112.247 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.45 -20.4 37.36 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.37 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.524 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 6.8 tp60 -90.32 133.55 34.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 92' ' ' SER . 44.5 t -76.52 117.79 21.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.038 0.446 . . . . 0.0 109.95 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.489 HD23 ' CD1' ' A' ' 67' ' ' LEU . 1.1 tm? -106.0 115.52 30.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.491 -175.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.3 p -89.42 122.25 32.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.795 0.331 . . . . 0.0 110.753 -178.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 p -118.74 130.27 73.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.274 0.559 . . . . 0.0 110.478 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 3.9 ttt -109.03 124.42 50.71 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.984 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.49 ' HZ ' HD11 ' A' ' 45' ' ' ILE . 15.4 p90 -160.07 179.0 9.12 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.078 -174.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.601 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 37.1 mtt180 -106.8 126.28 52.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.972 0.415 . . . . 0.0 111.272 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.586 ' CD1' HG11 ' A' ' 33' ' ' VAL . 4.4 t80 -103.95 144.05 32.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.371 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.588 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 4.3 ttm180 -81.43 107.18 13.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.026 0.441 . . . . 0.0 111.41 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.475 ' HB3' ' HB2' ' A' ' 84' ' ' GLU . 28.4 t -59.5 163.26 4.24 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.295 169.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.4 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 26.5 tptp -68.09 -10.78 56.62 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.424 176.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -94.5 6.79 47.73 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 177.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 64.02 34.03 11.72 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.576 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.588 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 16.0 mm-40 -90.01 173.65 8.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.122 -0.944 . . . . 0.0 109.02 170.456 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.456 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 73.0 m95 -139.78 87.25 2.15 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.265 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.601 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -97.27 160.24 14.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.296 0.569 . . . . 0.0 112.267 -171.785 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -78.97 122.2 25.87 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.874 -178.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 10.0 ptp -133.94 143.8 48.42 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.877 175.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.8 110.15 21.98 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.031 173.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' A' ' 109' ' ' THR . 69.2 m -94.79 130.65 41.25 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.86 178.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.606 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 12.7 p -93.55 126.44 38.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.733 176.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 4.6 m -103.36 128.89 50.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.825 0.345 . . . . 0.0 111.327 -176.009 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.42 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 35.0 t80 -133.89 135.4 43.62 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.327 172.036 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.704 ' HB ' HD12 ' A' ' 103' ' ' ILE . 30.3 p -94.15 108.74 20.57 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.488 177.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.42 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 3.1 t80 -77.97 98.83 5.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.165 0.507 . . . . 0.0 109.782 -177.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.734 ' HG2' HD13 ' A' ' 103' ' ' ILE . 52.5 mt-30 . . . . . 0 C--N 1.32 -0.683 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.538 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.734 HD13 ' HG2' ' A' ' 96' ' ' GLN . 11.6 mm . . . . . 0 CA--C 1.512 -0.481 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.86 -35.09 79.24 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.066 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.458 ' HE1' HD11 ' A' ' 107' ' ' ILE . 6.9 p90 -173.74 169.62 4.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.842 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.517 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 53.3 mt -98.57 143.79 12.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.278 177.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.458 HD11 ' HE1' ' A' ' 105' ' ' TYR . 34.0 mm -110.1 115.77 50.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.543 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.606 ' HA ' ' O ' ' A' ' 91' ' ' SER . 67.8 m -129.04 127.16 40.99 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.026 0.441 . . . . 0.0 111.595 -175.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.522 ' O ' ' HA ' ' A' ' 90' ' ' THR . 24.5 m -99.01 125.72 44.55 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 172.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -105.21 110.77 23.26 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -175.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.3 m -109.3 110.03 21.09 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.169 -173.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -81.09 114.02 19.66 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.449 -174.358 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HG2' ' NH1' ' A' ' 28' ' ' ARG . 37.8 Cg_exo . . . . . 0 C--O 1.232 0.178 0 N-CA-C 111.222 -0.338 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.43 16.2 3.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.13 0.491 . . . . 0.0 111.783 -171.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -125.02 134.64 52.49 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 173.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -129.07 144.31 51.15 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.719 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.588 HG12 HG23 ' A' ' 109' ' ' THR . 62.4 mt -100.35 126.6 53.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.207 176.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.6 p -132.54 146.69 52.11 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.192 0.52 . . . . 0.0 110.81 -177.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.557 ' HG2' HG12 ' A' ' 107' ' ' ILE . 55.3 mtm180 -119.7 132.07 55.56 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -141.45 149.44 40.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.373 -170.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -71.7 158.4 36.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.395 -178.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.8 pt -50.47 -26.66 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 -167.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -75.57 -10.61 59.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.873 0.368 . . . . 0.0 111.385 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.9 8.46 36.69 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 116.02 -0.537 . . . . 0.0 112.034 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.6 mm -84.81 117.05 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 120.374 0.131 . . . . 0.0 111.215 -172.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.503 ' CE2' ' HB ' ' A' ' 45' ' ' ILE . 96.0 m-85 -68.61 128.31 36.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.9 0.381 . . . . 0.0 111.319 -177.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 t -117.71 -25.86 6.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.588 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -142.07 123.94 15.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.345 177.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.427 ' CG1' ' HB2' ' A' ' 29' ' ' CYS . 92.7 t -136.12 137.27 48.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 120.696 0.284 . . . . 0.0 110.968 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -82.76 149.37 27.28 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 174.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.605 ' HA ' ' CG ' ' A' ' 37' ' ' PRO . 47.2 m80 -56.47 -14.98 3.46 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.969 0.908 . . . . 0.0 113.209 -171.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.472 ' NH1' ' HG2' ' A' ' 9' ' ' PRO . 36.4 mtt-85 -64.96 -12.96 55.71 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.893 0.377 . . . . 0.0 110.593 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.427 ' HB2' ' CG1' ' A' ' 25' ' ' VAL . 42.2 t -50.97 -38.67 52.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.316 176.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.582 HG12 ' HA ' ' A' ' 36' ' ' GLN . 3.9 m -65.08 -34.11 68.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.721 -176.134 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.23 -51.24 9.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.744 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 m -58.6 -54.28 48.88 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 177.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.682 ' O ' ' HA ' ' A' ' 80' ' ' SER . 9.7 m -121.08 -15.4 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -169.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.32 -35.97 4.59 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 119.213 -1.47 . . . . 0.0 113.101 177.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.544 ' H ' HG23 ' A' ' 33' ' ' VAL . 23.7 m-85 -71.02 143.75 50.66 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.939 0.399 . . . . 0.0 109.937 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.582 ' HA ' HG12 ' A' ' 30' ' ' VAL . 12.8 mm100 -74.68 147.15 84.2 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 175.107 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.648 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 76.2 Cg_exo -48.6 -51.29 10.59 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 121.745 1.63 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.416 ' CD ' ' H ' ' A' ' 38' ' ' GLN . 28.1 mp0 -53.48 -46.6 70.05 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.209 -1.36 . . . . 0.0 112.194 175.336 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.501 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 24.1 mm-40 -61.51 -30.75 70.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.987 0.423 . . . . 0.0 110.788 -177.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 tp -83.45 -28.73 28.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.706 -177.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 79.4 mt -58.5 119.8 7.67 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.675 -179.001 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.84 -12.5 56.28 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.037 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.788 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -102.82 157.67 16.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.867 0.365 . . . . 0.0 110.468 178.407 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.6 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 13.1 t-20 -92.19 144.86 24.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.626 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.503 ' HB ' ' CE2' ' A' ' 22' ' ' PHE . 14.2 tt -62.96 -25.84 39.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.479 176.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.5 p -74.46 -23.12 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.747 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.6 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 59.9 mm-40 -63.59 -36.31 83.37 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.411 0.625 . . . . 0.0 109.915 177.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -111.04 18.23 19.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.363 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 39.3 t -89.04 138.09 31.73 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.682 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.583 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 55.7 t60 -48.81 123.6 11.99 Favored Pre-proline 0 C--N 1.334 -0.1 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.799 172.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -49.62 -27.25 14.34 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 124.134 3.223 . . . . 0.0 114.467 -172.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -88.48 -6.45 57.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -114.23 -1.36 13.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.333 . . . . 0.0 110.113 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -65.94 -39.05 90.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.481 -175.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.523 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 22.9 tm0? -73.03 -33.74 65.9 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.271 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.08 -41.72 93.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.103 176.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 57' ' ' LEU . 24.8 mt -64.06 -40.27 95.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.819 175.567 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.523 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 41.8 mtt180 -51.11 -61.41 2.24 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.341 0.591 . . . . 0.0 110.489 175.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.517 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 40.5 t0 -58.28 -41.09 83.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.392 -1.277 . . . . 0.0 111.131 -174.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m -75.79 -37.2 59.42 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.546 -175.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.56 ' O ' HG12 ' A' ' 64' ' ' VAL . 11.1 m-30 -72.26 -36.47 69.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.921 0.391 . . . . 0.0 110.472 -178.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 13.3 pt20 -71.04 -27.99 64.05 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.052 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 59' ' ' ASP . 73.9 mt-30 -71.01 -33.54 70.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.9 177.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 61' ' ' PHE . 7.3 p -73.91 -25.43 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.002 176.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.579 ' HA ' HG21 ' A' ' 94' ' ' THR . 67.4 t -71.95 -28.05 29.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.392 0.615 . . . . 0.0 109.382 171.276 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 28.3 mtpp -78.08 -38.24 44.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.988 176.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.561 ' HB3' ' HB3' ' A' ' 70' ' ' GLN . 58.6 mt -73.05 -53.03 12.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.457 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.573 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 93.7 mttt 60.39 90.06 0.06 Allowed 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.803 0.689 . . . . 0.0 112.188 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.13 -22.02 21.45 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.044 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.561 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 56.2 tp60 -94.14 140.9 29.17 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 92' ' ' SER . 7.3 p -77.23 124.55 35.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.32 0.581 . . . . 0.0 110.894 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -109.67 118.94 37.89 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 p -95.74 120.88 36.78 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.083 0.468 . . . . 0.0 110.789 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.431 HG21 HD23 ' A' ' 57' ' ' LEU . 6.3 p -124.21 131.64 72.55 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.643 0 CA-C-O 121.749 0.785 . . . . 0.0 110.529 178.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 10.0 ttt -107.91 120.72 43.07 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.78 -176.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CZ ' HD11 ' A' ' 45' ' ' ILE . 11.1 p90 -148.66 178.46 8.62 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -175.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.583 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 62.9 mtt180 -111.72 120.85 43.4 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.589 177.392 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.667 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 3.3 t80 -86.17 148.54 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.7 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 33.8 ttp180 -84.77 109.33 17.99 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.558 177.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.682 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 31.4 t -57.09 166.13 1.15 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.771 174.261 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -65.3 -8.36 17.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.797 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -103.18 5.97 38.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.551 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 16.6 mp0 70.19 52.33 0.37 Allowed 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 122.69 1.233 . . . . 0.0 108.504 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.7 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -121.5 161.69 21.84 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 112.707 -2.042 . . . . 0.0 109.346 -171.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.401 ' CZ3' ' HA ' ' A' ' 50' ' ' HIS . 57.8 m95 -122.71 92.1 3.64 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.468 0.651 . . . . 0.0 111.23 -173.242 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.559 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -102.77 159.27 15.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.495 -176.67 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -85.22 130.38 34.62 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -174.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.667 ' SD ' ' HB2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -145.38 140.26 27.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.253 168.351 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -100.92 118.72 37.5 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 171.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.488 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 84.8 m -96.4 132.01 42.36 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.888 -178.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.4 m -90.25 115.08 27.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.436 174.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.452 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 2.7 m -95.76 131.42 42.07 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.551 -176.018 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.481 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 58.7 t80 -137.81 134.46 35.2 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.579 HG21 ' HA ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -95.62 112.23 24.0 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.065 0.46 . . . . 0.0 110.086 177.067 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.481 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 0.8 OUTLIER -79.88 95.03 5.95 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.297 0.57 . . . . 0.0 111.005 -171.787 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 . . . . . 0 N--CA 1.446 -0.631 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.215 171.301 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 54.5 mt . . . . . 0 CA--C 1.517 -0.289 0 CA-C-O 121.033 0.444 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.466 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 6.0 pt-20 -88.03 -39.07 14.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.218 176.536 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -173.85 -172.32 0.73 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.857 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 36.1 mt -107.59 148.74 11.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.677 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.557 HG12 ' HG2' ' A' ' 15' ' ' ARG . 57.8 mt -113.82 133.04 61.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.411 ' HB2' ' CG2' ' A' ' 90' ' ' THR . 6.1 p -137.38 119.6 15.64 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.389 0.614 . . . . 0.0 111.888 -177.421 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.588 HG23 HG12 ' A' ' 13' ' ' ILE . 6.8 m -94.64 136.23 35.19 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 171.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -121.91 110.54 15.98 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.219 -171.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 32.5 m -105.64 123.0 47.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.615 -176.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -76.92 121.02 22.85 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -179.794 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 111.849 -0.5 . . . . 0.0 111.849 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.08 65.4 1.1 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.187 0.517 . . . . 0.0 111.639 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.4 mmt -97.64 146.23 25.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.285 177.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.415 ' HA ' HG11 ' A' ' 30' ' ' VAL . 7.9 p-10 -71.21 -27.28 63.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.252 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.426 ' O ' ' HB ' ' A' ' 6' ' ' VAL . 39.9 m-80 57.22 33.02 22.69 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.758 0.661 . . . . 0.0 110.328 -178.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.518 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 99.2 t 74.37 122.98 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 O-C-N 124.157 0.911 . . . . 0.0 109.967 -171.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.0 p -49.65 128.85 18.64 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.54 0.686 . . . . 0.0 111.712 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.835 ' HB3' ' HG2' ' A' ' 28' ' ' ARG . 29.6 mm-40 -118.38 162.55 29.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.17 -172.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.635 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 37.4 Cg_exo -61.63 164.42 15.88 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 123.067 2.512 . . . . 0.0 111.824 168.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -90.23 25.91 2.06 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.381 0.61 . . . . 0.0 111.525 -175.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.636 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 34.0 tt0 -134.93 134.9 41.1 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 172.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -131.65 159.43 38.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.188 0.518 . . . . 0.0 111.636 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.9 mm -117.94 135.91 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.455 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.7 m -140.62 143.06 35.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.969 0.414 . . . . 0.0 111.434 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -99.66 126.04 45.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 174.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.656 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -140.95 149.49 41.9 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.469 -0.892 . . . . 0.0 112.859 -175.793 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.812 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 2.6 t-20 -62.86 146.94 51.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 113.733 -1.576 . . . . 0.0 109.319 173.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.414 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 27.1 pt -56.58 -21.75 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -170.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -84.68 2.1 43.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.308 0.575 . . . . 0.0 110.357 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.82 5.04 45.12 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.807 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.812 ' HB ' ' HB3' ' A' ' 17' ' ' ASN . 43.8 mm -78.94 115.12 20.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 CA-C-N 116.874 0.337 . . . . 0.0 110.982 -173.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 93.0 m-85 -69.84 121.72 17.83 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.111 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 m -100.39 -38.26 8.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.406 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -146.96 128.24 14.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.195 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.586 HG21 ' HB2' ' A' ' 40' ' ' LEU . 85.5 t -124.87 136.88 59.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.585 -177.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -82.8 148.17 27.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.084 175.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -56.37 -15.71 4.49 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 -171.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.835 ' HG2' ' HB3' ' A' ' 8' ' ' GLN . 84.6 mtm180 -64.75 -5.86 6.74 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 8.9 p -61.19 -35.28 76.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.437 176.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.415 HG11 ' HA ' ' A' ' 4' ' ' ASP . 20.9 t -68.2 -41.66 84.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.827 -176.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.56 -50.37 38.15 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.432 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.6 m -60.04 -55.06 38.63 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.517 HG11 ' CD1' ' A' ' 78' ' ' PHE . 11.5 m -137.69 26.48 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -170.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.71 -23.3 0.52 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 114.578 0.591 . . . . 0.0 114.578 173.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.462 ' HD1' ' HD3' ' A' ' 81' ' ' LYS . 10.7 m-30 -73.66 147.04 44.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.344 0.592 . . . . 0.0 110.827 -172.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -89.36 159.14 45.08 Favored Pre-proline 0 C--N 1.311 -1.104 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.616 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 52.9 Cg_exo -51.79 -46.52 31.58 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 121.605 1.537 . . . . 0.0 110.549 178.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.419 ' CD ' ' H ' ' A' ' 38' ' ' GLN . 24.2 mp0 -56.11 -37.12 68.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.233 -1.349 . . . . 0.0 111.504 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -63.14 -32.61 74.03 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.968 -172.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.586 ' HB2' HG21 ' A' ' 25' ' ' VAL . 3.0 mm? -85.59 -30.35 23.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.444 -178.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 55.3 mt -61.62 107.03 0.74 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.059 0.457 . . . . 0.0 111.575 -172.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.21 -5.49 33.89 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.135 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.887 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 11.0 mmpt? -106.82 154.08 21.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.632 0.253 . . . . 0.0 110.834 -179.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.614 ' HB3' HG12 ' A' ' 46' ' ' VAL . 10.0 m120 -84.0 137.21 33.72 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 170.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.497 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 13.9 tt -59.17 -20.46 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.159 0.505 . . . . 0.0 110.165 172.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.614 HG12 ' HB3' ' A' ' 44' ' ' ASN . 8.7 p -76.57 -15.49 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.589 ' HG3' ' HB2' ' A' ' 44' ' ' ASN . 46.1 mt-10 -74.21 -34.89 63.85 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.316 0.579 . . . . 0.0 109.926 176.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -101.33 11.78 38.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.235 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.421 ' SG ' ' HA ' ' A' ' 54' ' ' GLN . 52.5 t -89.51 139.17 30.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.409 177.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.886 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 17.4 t-80 -48.78 123.91 12.13 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.441 174.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.491 ' HA ' ' HG3' ' A' ' 54' ' ' GLN . 10.0 Cg_endo -52.56 -18.99 9.34 Favored 'Trans proline' 0 N--CA 1.478 0.565 0 C-N-CA 123.866 3.044 . . . . 0.0 114.662 -173.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -94.31 -6.41 44.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.15 -0.344 . . . . 0.0 111.383 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -124.25 3.66 8.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.862 0.363 . . . . 0.0 110.303 -175.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.491 ' HG3' ' HA ' ' A' ' 51' ' ' PRO . 79.0 mt-30 -63.6 -39.68 95.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.049 0.452 . . . . 0.0 110.615 -177.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -72.29 -32.74 66.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.461 176.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.5 tp -59.35 -44.26 92.68 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.283 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.432 HD21 ' CD1' ' A' ' 76' ' ' PHE . 14.5 mt -61.69 -46.41 89.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.551 174.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.576 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 66.4 ttt180 -56.92 -54.01 51.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.476 -177.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -55.44 -44.98 76.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.282 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.0 m -73.5 -35.32 65.62 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.306 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.47 ' O ' HG12 ' A' ' 64' ' ' VAL . 6.5 m-30 -66.36 -34.6 78.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.296 0.57 . . . . 0.0 109.793 177.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 89.1 mm-40 -65.55 -36.19 83.07 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.74 176.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -73.85 -32.71 63.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.609 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 61' ' ' PHE . 10.5 p -69.49 -29.2 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.529 175.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 61' ' ' PHE . 55.2 t -74.76 -21.5 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.374 0.607 . . . . 0.0 109.781 173.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.558 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 56.2 mtpt -79.46 -45.45 19.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.54 174.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 72' ' ' LEU . 73.6 mt -68.42 -50.86 49.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.005 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.476 ' HB3' ' OE1' ' A' ' 96' ' ' GLN . 97.3 mttt 61.93 98.46 0.03 OUTLIER 'General case' 0 C--O 1.236 0.386 0 O-C-N 123.988 0.805 . . . . 0.0 112.299 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.89 -17.91 53.55 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.277 176.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.445 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 5.8 tp-100 -91.8 137.61 32.22 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 92' ' ' SER . 4.6 p -76.69 120.54 27.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-O 121.45 0.643 . . . . 0.0 109.777 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 67' ' ' LEU . 16.0 tp -117.45 116.03 26.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.431 -175.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.414 ' HB2' ' HD2' ' A' ' 89' ' ' ARG . 59.3 p -89.38 125.21 35.05 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.08 0.467 . . . . 0.0 111.104 -174.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.7 p -126.01 133.27 69.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.527 0.68 . . . . 0.0 109.929 174.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.7 ttt -112.76 127.57 56.19 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.322 -173.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.432 ' CD1' HD21 ' A' ' 57' ' ' LEU . 11.7 p90 -152.28 179.22 8.72 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.299 -173.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.886 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 75.6 mtt180 -104.97 116.41 31.91 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 176.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.517 ' CD1' HG11 ' A' ' 33' ' ' VAL . 8.6 t80 -90.37 136.52 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.715 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 43.9 ttp180 -82.9 102.59 11.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.151 0.5 . . . . 0.0 110.815 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.717 ' HB3' ' HG2' ' A' ' 84' ' ' GLU . 48.4 t -62.64 175.17 0.84 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.866 174.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.462 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 44.7 tptt -70.81 3.08 3.49 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.438 0.637 . . . . 0.0 110.768 -178.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -106.94 7.07 29.77 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.503 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 2.3 mp0 61.69 31.77 18.53 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.138 -1.392 . . . . 0.0 109.816 176.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.717 ' HG2' ' HB3' ' A' ' 80' ' ' SER . 15.6 pt-20 -100.13 160.18 14.52 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 113.747 -1.57 . . . . 0.0 109.343 177.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.53 ' CH2' ' HD3' ' A' ' 79' ' ' ARG . 59.7 m95 -116.76 84.25 2.11 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.359 0.599 . . . . 0.0 110.306 -176.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.55 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -90.44 160.69 15.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.168 -176.071 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -85.83 112.31 20.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.281 0.563 . . . . 0.0 111.721 -173.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.619 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 1.4 ttp -125.94 139.32 53.54 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.532 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.414 ' HD2' ' HB2' ' A' ' 73' ' ' SER . 51.6 ttp180 -108.26 118.32 36.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.852 175.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.1 m -95.02 124.49 39.09 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.492 176.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.517 ' HB2' ' HB ' ' A' ' 109' ' ' THR . 68.1 m -92.0 118.71 31.04 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 172.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 6.3 m -91.51 132.9 35.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.891 -171.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -138.82 135.67 34.83 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.363 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.599 ' HB ' HD13 ' A' ' 103' ' ' ILE . 32.3 p -105.52 115.72 30.73 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 176.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -77.89 105.2 8.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.02 0.438 . . . . 0.0 109.946 -177.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.476 ' OE1' ' HB3' ' A' ' 68' ' ' LYS . 54.4 mt-30 -103.42 143.38 32.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.141 -178.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.407 ' C ' ' H ' ' A' ' 99' ' ' TYR . 50.0 m-80 -98.17 111.09 58.66 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.159 170.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.71 32.19 0.19 Allowed 'Trans proline' 0 N--CA 1.475 0.412 0 C-N-CA 123.881 3.054 . . . . 0.0 113.979 -173.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.407 ' H ' ' C ' ' A' ' 97' ' ' ASN . 10.6 m-85 -115.71 -42.44 3.11 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.7 t -117.21 1.43 12.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.908 176.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 59.37 26.38 15.25 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.143 -178.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -95.76 156.62 16.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.79 -175.29 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.599 HD13 ' HB ' ' A' ' 94' ' ' THR . 90.8 mt -107.9 126.81 64.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.03 178.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.469 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 5.6 pt-20 -82.95 -41.13 19.19 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.984 177.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -164.37 168.3 18.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.693 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.656 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 55.9 mt -99.39 147.57 7.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 174.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.6 mt -109.96 115.59 50.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 54.7 m -90.01 102.8 15.51 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.816 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.517 ' HB ' ' HB2' ' A' ' 91' ' ' SER . 46.9 m -90.09 109.63 20.68 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 168.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.619 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 6.0 m-20 -112.65 110.66 20.94 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.995 0.426 . . . . 0.0 110.865 -169.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.1 m -112.95 115.53 28.56 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.942 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -85.49 125.88 33.39 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.439 ' HB ' ' H ' ' A' ' 114' ' ' LYS . 9.8 t -101.75 -90.33 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.262 -175.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.439 ' H ' ' HB ' ' A' ' 113' ' ' VAL . 58.1 mtpt -88.66 172.54 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.631 0.729 . . . . 0.0 111.617 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -134.94 154.03 51.85 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.717 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.2 t -145.67 43.59 1.27 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.145 0.498 . . . . 0.0 109.985 -175.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -164.16 -43.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -174.352 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -79.33 78.99 5.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.687 0.279 . . . . 0.0 111.25 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.531 -179.859 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.694 ' HB3' ' HG2' ' A' ' 38' ' ' GLN . . . -136.98 144.78 43.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.534 0.207 . . . . 0.0 110.487 179.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.8 ptm 175.71 -32.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.334 -177.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -83.45 74.87 10.05 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.611 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -109.31 113.71 26.77 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.524 -173.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.0 p -148.95 152.13 12.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.21 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.5 m 66.47 45.8 2.04 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.53 0.519 . . . . 0.0 111.844 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.78 ' HG3' ' HA ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -118.63 142.79 32.2 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.233 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 8' ' ' GLN . 23.3 Cg_exo -66.36 163.8 30.77 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.485 2.79 . . . . 0.0 112.116 175.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.57 6.66 9.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.69 -176.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.801 ' HG2' ' HA ' ' A' ' 111' ' ' THR . 45.9 mt-10 -110.61 134.77 52.11 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 173.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -116.07 134.62 54.75 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.447 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 13' ' ' ILE . 4.5 mp -105.98 127.65 60.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.196 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.2 m -140.07 148.23 41.46 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.521 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -105.44 122.58 46.29 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.52 ' CE1' ' HB ' ' A' ' 106' ' ' ILE . 0.2 OUTLIER -131.33 152.62 50.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.72 0.771 . . . . 0.0 112.464 -172.885 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.61 148.81 51.12 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 113.596 -1.638 . . . . 0.0 109.656 178.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.2 pt -52.68 -21.48 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -170.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -87.12 -3.59 59.08 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.936 0.398 . . . . 0.0 110.783 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.79 13.79 28.78 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.916 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.3 mm -91.14 123.78 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 116.961 0.381 . . . . 0.0 111.039 -175.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.43 ' HE2' ' HA ' ' A' ' 45' ' ' ILE . 96.7 m-85 -74.65 120.33 20.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.888 0.375 . . . . 0.0 110.925 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.6 p -110.08 -30.41 7.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.079 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -139.07 119.84 14.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.195 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.8 t -127.5 135.94 61.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.748 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -89.21 150.93 22.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.158 0.504 . . . . 0.0 110.602 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.447 ' O ' HG22 ' A' ' 30' ' ' VAL . 96.1 m-70 -54.63 -15.21 1.65 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -171.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.78 ' HA ' ' HG3' ' A' ' 8' ' ' GLN . 50.1 mtt180 -62.15 -12.06 17.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.967 0.413 . . . . 0.0 110.82 177.101 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 32.5 t -50.61 -40.04 51.7 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.954 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 27' ' ' HIS . 19.4 m -67.21 -34.38 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 111.612 -175.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.42 ' HB2' ' HG2' ' A' ' 8' ' ' GLN . . . -69.82 -51.9 29.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.681 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.439 HG23 ' HB2' ' A' ' 112' ' ' ASN . 3.3 m -69.13 -53.86 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.733 HG12 ' HE1' ' A' ' 88' ' ' MET . 18.4 m -123.75 9.76 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -168.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.2 -30.38 1.61 Allowed Glycine 0 CA--C 1.523 0.556 0 C-N-CA 120.666 -0.778 . . . . 0.0 113.94 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.471 ' HD1' ' HD3' ' A' ' 81' ' ' LYS . 22.9 m-85 -70.9 147.75 48.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.273 0.558 . . . . 0.0 111.276 -174.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.641 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 75.8 mm-40 -79.79 146.95 65.57 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 169.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.694 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 88.1 Cg_exo -46.48 -46.32 17.58 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 121.996 1.798 . . . . 0.0 111.357 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.694 ' HG2' ' HB3' ' A' ' 2' ' ' ALA . 21.2 mm-40 -54.94 -49.85 70.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.416 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.641 ' HG3' ' HB2' ' A' ' 36' ' ' GLN . 37.3 mt-10 -62.18 -29.23 70.22 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.948 -175.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 tp -83.89 -28.94 27.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.5 -177.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 75.1 mt -62.6 106.63 0.81 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.053 0.454 . . . . 0.0 110.913 178.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.91 -13.15 12.99 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.207 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.77 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -99.38 152.72 19.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.841 0.353 . . . . 0.0 110.276 177.287 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.585 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 9.4 t-20 -86.77 141.7 28.67 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 173.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.437 HG12 ' SG ' ' A' ' 49' ' ' CYS . 13.2 tt -55.95 -42.04 69.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.576 176.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.5 t -63.07 -25.02 37.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 122.842 0.457 . . . . 0.0 111.701 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.585 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 35.2 mm-40 -68.56 -29.6 68.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.48 0.657 . . . . 0.0 110.324 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -100.84 13.23 35.69 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.083 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.437 ' SG ' HG12 ' A' ' 45' ' ' ILE . 75.3 m -105.93 120.9 42.94 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.239 172.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.587 ' CD2' ' HB2' ' A' ' 77' ' ' ARG . 7.7 p80 -62.21 153.26 75.78 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.001 0.429 . . . . 0.0 111.195 -172.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 50' ' ' HIS . 33.8 Cg_exo -47.0 -54.16 5.35 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 124.329 3.353 . . . . 0.0 115.179 -160.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 1.9 pm0 -78.86 -4.93 52.1 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -170.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -102.25 -6.2 23.42 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.05 0.452 . . . . 0.0 109.943 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -65.96 -34.64 78.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.775 -177.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -66.58 -40.06 88.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.747 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.6 mt -57.17 -50.62 72.25 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.437 175.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.1 mt -62.81 -38.79 92.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.646 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.583 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 94.7 mtt180 -57.33 -58.84 6.5 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.785 176.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.628 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 9.0 t70 -61.46 -43.15 99.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.73 -176.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 63' ' ' GLN . 79.1 p -70.55 -41.69 72.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.231 0.538 . . . . 0.0 111.383 -174.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.47 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.0 m-85 -61.85 -35.23 77.67 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.948 174.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 32.1 mm-40 -65.39 -38.35 89.71 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 174.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.628 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 34.4 mm-40 -58.45 -48.88 79.3 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.34 179.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.644 HG11 ' OG ' ' A' ' 92' ' ' SER . 10.2 p -69.21 -25.32 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.191 -177.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.636 ' HA ' HG21 ' A' ' 94' ' ' THR . 57.0 t -71.71 -42.9 70.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.831 0.348 . . . . 0.0 110.202 177.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -77.52 -18.9 56.57 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.633 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 37.5 mt -73.65 -56.9 4.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.924 174.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.785 ' HG2' HD11 ' A' ' 103' ' ' ILE . 98.6 mttt 62.12 96.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.267 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.44 -6.34 57.59 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.927 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.514 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 27.6 mm-40 -103.09 137.99 40.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.591 0.234 . . . . 0.0 110.663 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 92' ' ' SER . 60.5 t -77.33 123.82 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.186 178.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -113.78 121.2 43.33 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -177.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.3 m -100.0 121.67 41.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.991 0.424 . . . . 0.0 110.905 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.4 p -134.23 136.67 52.96 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.752 0 CA-C-O 121.51 0.672 . . . . 0.0 110.214 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.6 ttt -113.06 134.08 54.69 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.751 -172.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.455 ' HE1' ' OG1' ' A' ' 90' ' ' THR . 30.0 p90 -155.61 179.77 8.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.482 -174.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.587 ' HB2' ' CD2' ' A' ' 50' ' ' HIS . 14.6 mtt180 -112.75 122.86 48.89 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 177.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.434 ' HD2' ' CE2' ' A' ' 76' ' ' PHE . 6.8 t80 -100.44 151.46 21.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.838 -175.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -90.29 115.57 27.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.633 0.254 . . . . 0.0 110.681 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.48 ' HB3' ' CG ' ' A' ' 84' ' ' GLU . 32.4 t -74.17 179.42 4.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.954 0.407 . . . . 0.0 111.038 177.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.471 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 22.2 tptm -68.37 -10.78 57.43 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.345 0.593 . . . . 0.0 110.304 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -99.08 6.74 46.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.673 -177.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 64.59 21.64 12.47 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.77 -178.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.48 ' CG ' ' HB3' ' A' ' 80' ' ' SER . 10.4 pt-20 -92.28 158.1 16.3 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.395 174.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.495 ' CE3' ' HB3' ' A' ' 50' ' ' HIS . 94.8 m95 -114.94 107.29 15.2 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.831 0.348 . . . . 0.0 110.404 -177.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -109.22 155.44 21.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.008 0.433 . . . . 0.0 111.868 -178.056 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -84.36 127.0 33.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.941 -176.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.733 ' HE1' HG12 ' A' ' 33' ' ' VAL . 18.1 ptp -145.39 150.47 36.61 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.23 0.538 . . . . 0.0 111.098 174.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -105.96 123.59 48.23 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.046 176.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 109' ' ' THR . 49.6 m -94.24 125.44 38.88 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.277 0.56 . . . . 0.0 110.702 175.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.2 m -96.05 112.28 24.06 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 172.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.644 ' OG ' HG11 ' A' ' 64' ' ' VAL . 7.0 t -94.7 156.14 16.54 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.593 0.711 . . . . 0.0 110.616 -175.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.495 ' HB3' ' HB ' ' A' ' 107' ' ' ILE . 60.2 t80 -155.95 134.14 11.44 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.206 -1.361 . . . . 0.0 107.877 175.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.641 ' HB ' HD13 ' A' ' 103' ' ' ILE . 2.5 p -104.17 108.43 19.81 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.158 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -76.48 110.51 11.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.926 -172.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 16.7 mt-30 -93.3 126.46 38.43 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.611 176.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -62.91 117.8 36.06 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 173.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.77 -13.75 23.65 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.875 2.383 . . . . 0.0 113.326 -175.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -108.74 8.42 26.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.532 -177.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.537 ' HB2' ' HG2' ' A' ' 102' ' ' GLU . 19.0 m -146.35 -21.34 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -177.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.71 14.58 9.2 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.533 0.733 . . . . 0.0 111.561 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' A' ' 100' ' ' SER . 11.9 pt-20 -99.01 157.56 16.25 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.785 HD11 ' HG2' ' A' ' 68' ' ' LYS . 89.3 mt -96.0 114.04 31.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.441 0.639 . . . . 0.0 110.274 -177.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.465 ' HG2' ' H ' ' A' ' 104' ' ' GLU . 3.7 pt-20 -76.55 -39.8 51.7 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.079 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.44 ' CD2' ' HG3' ' A' ' 104' ' ' GLU . 22.4 p90 -166.06 168.16 15.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.985 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.52 ' HB ' ' CE1' ' A' ' 16' ' ' HIS . 45.8 mt -98.88 145.63 9.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.778 175.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.495 ' HB ' ' HB3' ' A' ' 93' ' ' PHE . 52.4 mt -100.17 122.99 52.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 9.9 t -110.59 99.18 8.2 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.029 -174.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' A' ' 90' ' ' THR . 25.7 m -103.24 122.41 44.7 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 174.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 11' ' ' GLU . 4.1 m-20 -118.56 116.01 25.75 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.509 -172.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.801 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 23.1 m -94.92 119.49 33.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.925 -178.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.439 ' HB2' HG23 ' A' ' 32' ' ' THR . 2.9 t-20 -79.22 110.43 14.48 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.8 t -98.88 -92.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.199 0.523 . . . . 0.0 110.095 -178.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -101.71 179.93 4.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.949 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -127.65 134.51 49.63 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 172.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.5 t -81.02 -28.14 35.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.82 -172.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.1 t -178.04 131.6 0.14 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.676 0.274 . . . . 0.0 110.922 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -74.94 -10.9 59.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.963 172.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.514 -0.755 . . . . 0.0 110.714 -176.001 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 112.18 -0.368 . . . . 0.0 112.18 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.2 57.0 6.29 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.154 0.502 . . . . 0.0 111.074 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.503 ' HB2' HD21 ' A' ' 5' ' ' ASN . 92.3 mmm -79.33 161.11 26.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.635 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -86.2 105.4 16.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.344 0.593 . . . . 0.0 110.861 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.626 ' HB3' HG21 ' A' ' 30' ' ' VAL . 14.7 m-80 -140.41 136.6 33.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.105 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.5 p -170.26 132.84 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.539 0.209 . . . . 0.0 110.799 175.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.3 t 54.84 57.04 6.0 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.369 0.604 . . . . 0.0 110.557 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.71 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 30.7 mm-40 -95.6 142.17 24.21 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.354 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.638 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 23.7 Cg_exo -64.78 153.04 79.81 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.718 2.279 . . . . 0.0 110.885 172.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.49 ' HB ' ' HB3' ' A' ' 112' ' ' ASN . 12.7 p -87.34 31.43 0.74 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.462 0.649 . . . . 0.0 111.909 -174.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 40.0 tt0 -131.31 132.93 44.88 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 168.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -137.62 142.02 41.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.024 0.44 . . . . 0.0 110.524 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.9 tt -94.68 137.97 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.397 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.2 p -136.84 135.8 38.23 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.624 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.484 ' HG2' HG12 ' A' ' 107' ' ' ILE . 91.1 mtt180 -112.17 133.63 54.19 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.592 ' HB3' ' HA ' ' A' ' 22' ' ' PHE . 1.3 p80 -148.2 165.77 29.93 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.494 0.664 . . . . 0.0 112.531 -173.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.61 153.15 35.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.643 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.542 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 42.6 pt -50.83 -30.71 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -167.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -69.98 -17.18 63.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.728 0.299 . . . . 0.0 111.029 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.81 12.95 13.3 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.218 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.2 mm -90.85 110.36 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.612 0.206 . . . . 0.0 110.567 -175.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.62 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 97.8 m-85 -68.6 135.08 50.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.96 0.41 . . . . 0.0 111.938 -173.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 p -118.54 -21.24 8.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.162 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -147.12 122.72 10.46 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.643 176.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 40' ' ' LEU . 94.2 t -130.89 136.81 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.777 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.404 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 13.1 t70 -86.29 148.22 25.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.176 0.513 . . . . 0.0 110.907 177.006 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.4 ' O ' HG22 ' A' ' 30' ' ' VAL . 56.7 m80 -50.89 -22.08 2.03 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.607 -1.179 . . . . 0.0 113.857 -175.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.638 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 74.4 mtt180 -66.01 -5.83 10.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.929 0.395 . . . . 0.0 111.714 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 18.8 p -63.77 -36.54 84.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.478 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.626 HG21 ' HB3' ' A' ' 5' ' ' ASN . 32.8 m -63.0 -31.31 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 120.954 0.407 . . . . 0.0 110.941 -177.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.71 ' HB2' ' HB2' ' A' ' 8' ' ' GLN . . . -79.16 -51.95 8.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.706 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.446 HG23 ' HB2' ' A' ' 112' ' ' ASN . 2.7 m -60.13 -51.51 69.29 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 80' ' ' SER . 22.1 m -130.48 5.67 2.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -168.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.06 -34.39 3.23 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.08 -1.057 . . . . 0.0 113.696 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -72.12 144.68 48.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.957 0.408 . . . . 0.0 111.222 -175.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -89.38 162.77 35.99 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.694 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 82.0 Cg_exo -46.98 -51.8 8.74 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.248 1.965 . . . . 0.0 112.327 -178.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -62.02 -38.96 90.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.591 -178.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.93 -36.45 72.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.754 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.588 ' HG ' ' CD1' ' A' ' 22' ' ' PHE . 10.1 tp -88.77 -20.86 24.2 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.741 -174.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 64.1 mt -70.33 95.54 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.672 178.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 130.39 -25.95 4.21 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.934 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -107.79 136.15 48.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.915 0.388 . . . . 0.0 110.275 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.571 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 31.5 t-20 -73.33 143.85 46.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.068 -173.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.62 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 15.2 tt -61.76 -26.45 39.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.53 175.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.2 t -75.44 -24.63 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.481 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.571 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 40.9 mm-40 -68.42 -27.67 66.4 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.433 0.635 . . . . 0.0 109.724 175.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -108.38 14.0 25.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.24 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.585 ' SG ' HD12 ' A' ' 57' ' ' LEU . 20.5 t -89.53 132.9 34.84 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.014 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 25.4 t-80 -44.77 123.17 4.79 Favored Pre-proline 0 C--O 1.225 -0.21 0 O-C-N 123.786 0.679 . . . . 0.0 109.212 173.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.409 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 87.1 Cg_exo -49.03 -27.68 12.41 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.834 3.022 . . . . 0.0 114.432 -173.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -90.42 -5.14 56.47 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 122.369 -0.207 . . . . 0.0 111.368 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -109.69 -5.53 15.6 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -174.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.409 ' OE1' ' HA ' ' A' ' 51' ' ' PRO . 44.2 mt-30 -64.28 -36.62 84.68 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.576 -173.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -70.36 -37.75 74.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.288 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tt -62.2 -48.28 80.72 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.585 HD12 ' SG ' ' A' ' 49' ' ' CYS . 13.9 mt -61.92 -41.77 98.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.554 175.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.479 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 71.1 ttt180 -57.07 -53.06 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.748 0.309 . . . . 0.0 110.196 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.63 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 5.2 t0 -59.29 -48.32 82.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.589 -179.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.6 m -70.31 -33.52 71.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.237 -172.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.508 ' O ' HG23 ' A' ' 65' ' ' VAL . 12.4 m-30 -67.75 -38.37 83.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 18.8 mm-40 -65.16 -38.86 91.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.607 175.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.63 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 84.2 mm-40 -58.8 -52.04 67.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.661 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.495 HG11 ' HB3' ' A' ' 92' ' ' SER . 13.6 p -65.59 -29.41 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.13 -177.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.586 ' HA ' HG21 ' A' ' 94' ' ' THR . 81.7 t -69.5 -28.39 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.357 0.598 . . . . 0.0 110.03 176.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -82.53 -32.86 28.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.325 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 90.4 mt -70.72 -52.52 20.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.808 178.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.622 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 97.1 mttt 57.48 93.48 0.03 OUTLIER 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.677 0.751 . . . . 0.0 112.188 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.35 -24.11 16.61 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.275 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.482 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 6.3 tp-100 -86.28 129.26 34.91 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -178.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 92' ' ' SER . 51.8 t -77.7 110.87 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.658 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.432 HD13 ' CD1' ' A' ' 67' ' ' LEU . 15.4 tp -101.09 129.68 47.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.546 -173.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.3 m -90.25 121.81 32.61 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.787 0.327 . . . . 0.0 110.395 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.519 HG21 HD23 ' A' ' 57' ' ' LEU . 7.6 p -129.42 131.78 67.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.597 0.713 . . . . 0.0 110.1 174.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.3 ttt -113.72 131.42 56.19 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.168 -174.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.462 ' HE1' ' OG1' ' A' ' 90' ' ' THR . 8.0 p90 -160.07 178.73 9.39 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.922 -175.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.697 ' HB3' ' HB3' ' A' ' 85' ' ' TRP . 45.4 mtt180 -106.37 117.07 33.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.876 0.369 . . . . 0.0 111.014 176.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.54 ' O ' HD12 ' A' ' 86' ' ' LEU . 9.4 t80 -92.36 135.03 34.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.433 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 1.7 ttm180 -77.96 109.24 11.84 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.246 177.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.982 ' HB3' HD11 ' A' ' 86' ' ' LEU . 72.0 p -68.24 178.77 1.78 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.222 0.534 . . . . 0.0 111.347 176.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -75.39 1.84 12.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.127 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -108.49 8.86 27.53 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 68.34 11.74 8.47 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 114.486 -1.234 . . . . 0.0 112.115 177.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -101.11 149.8 23.59 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.697 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 22.4 m95 -103.52 105.4 15.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.215 -170.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.982 HD11 ' HB3' ' A' ' 80' ' ' SER . 0.0 OUTLIER -92.25 160.39 15.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.593 -174.631 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -88.69 118.22 28.22 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.013 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.451 ' HE1' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -132.05 144.94 51.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.074 174.844 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -104.45 110.32 22.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.653 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.462 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 75.8 m -94.5 131.43 40.23 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.627 -175.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 20.9 m -91.29 118.03 30.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.628 175.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.495 ' HB3' HG11 ' A' ' 64' ' ' VAL . 6.1 m -96.28 129.62 43.56 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.73 -177.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 85.3 t80 -139.46 135.76 33.9 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.689 174.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.717 ' HB ' HD12 ' A' ' 103' ' ' ILE . 38.6 p -104.66 109.07 20.85 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.534 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 3.5 t80 -73.38 105.03 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.939 0.399 . . . . 0.0 110.804 -173.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.612 ' HG2' HD13 ' A' ' 103' ' ' ILE . 55.2 mt-30 -91.63 130.37 37.45 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.231 175.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -64.32 117.45 37.14 Favored Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 171.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.415 ' HG2' ' CD2' ' A' ' 99' ' ' TYR . 17.7 Cg_endo -59.68 -13.66 22.83 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 123.062 2.508 . . . . 0.0 113.237 -174.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.415 ' CD2' ' HG2' ' A' ' 98' ' ' PRO . 86.2 m-85 -115.82 9.79 15.16 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.363 -176.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.2 t -145.06 -16.31 0.51 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.27 0.0 1.94 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.5 0.72 . . . . 0.0 112.674 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.565 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 14.0 pt-20 -83.03 156.11 23.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.767 0.318 . . . . 0.0 110.968 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.717 HD12 ' HB ' ' A' ' 94' ' ' THR . 35.0 mm -88.62 113.25 25.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.712 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -66.86 -43.45 83.56 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -177.9 177.7 1.04 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.521 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.542 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 58.6 mt -101.57 143.78 14.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 176.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.484 HG12 ' HG2' ' A' ' 15' ' ' ARG . 62.0 mt -119.78 112.82 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.426 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 87.5 m -114.36 111.78 22.02 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.611 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 90' ' ' THR . 26.0 m -87.65 131.46 34.44 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 173.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.497 ' O ' ' HA ' ' A' ' 11' ' ' GLU . 43.1 m-80 -118.12 112.8 20.66 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.491 -171.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.6 m -105.5 121.32 43.7 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.476 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.49 ' HB3' ' HB ' ' A' ' 10' ' ' THR . 66.2 t30 -82.12 122.59 28.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 19.0 t -95.08 -97.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.616 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.48 26.36 4.45 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.212 -173.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 53.3 -148.4 0.45 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -173.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.576 ' HA ' ' HA ' ' A' ' 86' ' ' LEU . 27.9 p -78.18 -37.27 46.1 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 118.168 0.44 . . . . 0.0 111.147 -177.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 72.8 m 57.96 33.61 23.38 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.339 0.59 . . . . 0.0 110.624 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -106.65 80.77 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.582 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' A' ' 119' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.016 -0.993 . . . . 0.0 110.496 -178.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.814 0 N-CA-C 112.079 -0.408 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.51 152.62 18.45 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.486 -0.19 . . . . 0.0 110.486 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 86.5 mmm 59.29 35.1 23.23 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.36 0.6 . . . . 0.0 110.53 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -119.03 83.29 2.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.448 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.818 ' HB3' ' HB3' ' A' ' 27' ' ' HIS . 2.8 p30 -171.24 93.81 0.17 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.47 0.652 . . . . 0.0 111.984 -173.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.1 t -124.04 125.43 70.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.14 177.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.0 m 57.77 77.47 0.28 Allowed 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.597 0.561 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.75 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 12.5 mm-40 -116.52 151.95 47.62 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -174.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -58.62 155.64 35.92 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.103 2.535 . . . . 0.0 112.331 174.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.11 6.93 23.53 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -174.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -100.13 143.54 30.21 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 172.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -142.16 152.79 43.53 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.288 -0.965 . . . . 0.0 111.496 173.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.5 mm -112.56 128.42 69.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.092 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.5 m -141.86 150.26 41.34 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.038 0.447 . . . . 0.0 111.024 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -112.15 125.82 54.54 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -139.5 145.42 38.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.008 -177.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.638 ' OD1' ' HB ' ' A' ' 21' ' ' ILE . 23.9 p-10 -79.98 171.23 15.38 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -177.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.9 pt -56.89 -30.01 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -162.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.2 -1.15 39.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.16 0.505 . . . . 0.0 110.435 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.01 27.25 14.11 Favored Glycine 0 N--CA 1.439 -1.116 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.737 177.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.638 ' HB ' ' OD1' ' A' ' 17' ' ' ASN . 39.0 mm -95.63 119.36 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 117.228 0.514 . . . . 0.0 110.206 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.616 ' CE1' ' HB ' ' A' ' 45' ' ' ILE . 95.6 m-85 -79.35 123.88 27.9 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.907 0.384 . . . . 0.0 111.267 -176.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.1 p -105.13 -27.04 11.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.918 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -142.28 125.02 15.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.17 176.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.424 ' HB ' ' HB3' ' A' ' 37' ' ' PRO . 95.7 t -128.13 133.93 66.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -76.25 149.49 37.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.527 0.68 . . . . 0.0 110.991 175.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.818 ' HB3' ' HB3' ' A' ' 5' ' ' ASN . 43.2 m80 -54.51 -26.4 31.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.688 -1.142 . . . . 0.0 113.139 -171.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.69 ' HG2' ' HB3' ' A' ' 8' ' ' GLN . 59.5 mtt85 -70.61 -2.24 13.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.254 0.346 . . . . 0.0 111.806 -175.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.4 t -56.99 -35.82 69.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.032 0.444 . . . . 0.0 110.476 174.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.595 HG12 ' HA ' ' A' ' 36' ' ' GLN . 5.1 m -70.72 -27.83 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.38 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.75 ' HB2' ' HB2' ' A' ' 8' ' ' GLN . . . -74.62 -50.1 19.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.815 -178.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.7 m -68.26 -54.03 20.41 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.545 HG11 ' CD1' ' A' ' 78' ' ' PHE . 30.4 m -129.13 21.24 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -168.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 81' ' ' LYS . . . 72.63 -29.79 0.73 Allowed Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.889 -0.672 . . . . 0.0 114.521 174.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -71.46 138.17 48.81 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.271 0.558 . . . . 0.0 111.243 -175.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.595 ' HA ' HG12 ' A' ' 30' ' ' VAL . 54.0 mm-40 -76.42 152.87 83.78 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.805 173.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.729 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 82.7 Cg_exo -47.83 -48.38 16.22 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 121.827 1.685 . . . . 0.0 110.898 174.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -56.16 -44.37 79.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.018 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.438 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 9.8 mm-40 -59.46 -33.13 70.91 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.155 -176.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.507 ' HG ' ' CD1' ' A' ' 22' ' ' PHE . 12.3 tp -89.3 -25.06 21.86 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.061 -174.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.729 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 79.1 mt -62.78 112.17 2.43 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.205 0.526 . . . . 0.0 111.432 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.13 -10.71 37.03 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.667 177.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.436 ' HD3' ' HZ ' ' A' ' 48' ' ' PHE . 64.6 mttp -105.33 159.72 15.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.141 0.496 . . . . 0.0 110.987 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.509 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 15.7 m120 -89.06 130.43 35.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.685 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.616 ' HB ' ' CE1' ' A' ' 22' ' ' PHE . 13.0 tt -60.15 -24.62 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.324 174.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.7 t -70.3 -31.1 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.76 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.509 ' HG2' ' HB2' ' A' ' 44' ' ' ASN . 26.4 mm-40 -71.87 -31.12 66.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.11 0.481 . . . . 0.0 110.317 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.436 ' HZ ' ' HD3' ' A' ' 43' ' ' LYS . 71.1 m-85 -96.82 6.02 49.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.3 176.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 52.5 t -89.38 139.25 30.7 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.629 175.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 40.0 t-80 -44.55 125.61 4.86 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.849 175.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -50.53 -29.24 24.06 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 124.014 3.143 . . . . 0.0 114.298 -171.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -89.77 -5.25 57.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.96 0.409 . . . . 0.0 111.342 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -116.29 5.57 13.63 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -63.76 -47.62 80.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.52 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -66.93 -32.15 73.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.58 176.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -59.57 -46.53 88.65 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.443 HD21 ' CD1' ' A' ' 76' ' ' PHE . 11.3 mt -63.63 -49.76 72.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.008 175.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.601 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 74.7 ttt180 -52.16 -56.66 13.15 Favored 'General case' 0 CA--C 1.519 -0.234 0 O-C-N 123.41 0.444 . . . . 0.0 110.634 -177.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.759 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 29.6 t70 -55.27 -50.35 69.74 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.981 -179.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 m -68.19 -31.77 71.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.18 -171.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.469 ' O ' HG23 ' A' ' 65' ' ' VAL . 15.9 m-30 -70.89 -36.2 72.64 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.722 -0.474 . . . . 0.0 109.722 174.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.601 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 83.1 mm-40 -66.0 -36.74 84.1 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 176.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.759 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 20.2 mm-40 -61.7 -45.04 95.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.334 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.583 HG11 ' OG ' ' A' ' 92' ' ' SER . 14.5 p -70.87 -26.38 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.74 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.562 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 58.9 t -71.88 -27.84 28.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.339 0.59 . . . . 0.0 109.711 173.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 66.0 mttm -85.16 -22.98 28.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.255 175.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.712 HD11 HD23 ' A' ' 72' ' ' LEU . 35.8 mt -76.04 -52.48 10.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.621 175.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 96.7 mttt 49.08 80.54 0.06 Allowed 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.969 0.793 . . . . 0.0 111.798 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.58 -35.26 2.44 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.627 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.486 ' HB2' HD13 ' A' ' 67' ' ' LEU . 77.2 mt-30 -93.95 144.3 25.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -177.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.4 t -77.98 127.19 38.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.394 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.712 HD23 HD11 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -117.56 114.8 23.96 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.609 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.466 ' HA ' ' O ' ' A' ' 90' ' ' THR . 49.1 m -104.47 120.3 40.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.329 0.585 . . . . 0.0 110.715 -175.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.3 p -115.64 137.39 49.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.459 -177.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.4 ttt -111.23 126.47 54.91 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.732 -174.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.443 ' CD1' HD21 ' A' ' 57' ' ' LEU . 15.8 p90 -156.72 179.0 9.69 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.483 -172.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.678 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 64.7 mtp180 -109.7 114.11 27.43 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.174 0.511 . . . . 0.0 110.877 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.545 ' CD1' HG11 ' A' ' 33' ' ' VAL . 2.9 t80 -92.68 136.56 33.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.068 -176.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.515 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 21.9 ttm180 -79.12 119.16 21.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.484 0.659 . . . . 0.0 111.357 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.5 t -73.94 166.83 22.66 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.193 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.444 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . 48.3 tptt -69.39 -9.45 53.57 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.825 175.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -97.91 7.0 47.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 62.97 32.63 15.46 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.944 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.515 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 43.2 mt-10 -90.68 161.29 15.44 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.62 172.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.53 ' O ' ' HB3' ' A' ' 116' ' ' SER . 88.0 m95 -124.87 80.56 1.88 Allowed 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.678 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.1 pp -85.26 161.97 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.507 0.67 . . . . 0.0 112.213 -171.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.458 ' CZ2' ' HD2' ' A' ' 77' ' ' ARG . 89.2 m95 -94.2 117.58 30.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.01 -176.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 14.8 ptp -132.49 147.21 52.36 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.579 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -108.59 112.96 25.59 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 173.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 109' ' ' THR . 88.6 m -94.09 124.33 38.03 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.68 -178.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.6 m -91.39 120.3 32.13 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 176.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.583 ' OG ' HG11 ' A' ' 64' ' ' VAL . 7.9 t -96.33 157.11 16.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.563 0.696 . . . . 0.0 110.973 -173.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -158.54 134.83 9.27 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.306 -1.316 . . . . 0.0 108.256 175.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.502 HG22 HG12 ' A' ' 106' ' ' ILE . 73.9 p -107.45 108.24 19.49 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.115 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.44 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 2.4 t80 -72.33 118.82 15.7 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.471 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 51.0 mt-30 -98.04 138.32 35.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.688 -174.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -55.5 115.9 10.49 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.495 168.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.55 -9.91 10.12 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.902 2.401 . . . . 0.0 113.697 -171.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -120.85 -6.51 9.59 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.475 -178.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.5 m -130.59 -11.58 3.94 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -173.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 61.05 7.09 1.42 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.002 0.521 . . . . 0.0 112.376 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.471 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 9.6 mm-40 -77.25 155.24 32.27 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.461 HD13 ' HB ' ' A' ' 94' ' ' THR . 76.7 mt -96.82 119.2 44.57 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-O 121.401 0.62 . . . . 0.0 110.637 -176.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -73.11 -46.04 53.57 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.852 177.799 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -168.15 157.06 9.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.453 -1.249 . . . . 0.0 109.588 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.502 HG12 HG22 ' A' ' 94' ' ' THR . 66.8 mt -92.57 142.97 12.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 174.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 61.7 mt -111.55 106.42 20.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.9 p -98.0 112.57 24.46 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.183 0.516 . . . . 0.0 111.312 -173.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 90' ' ' THR . 47.1 m -86.31 127.65 34.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.449 174.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -103.14 117.55 34.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.818 -0.174 . . . . 0.0 110.978 -177.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.3 m -115.66 104.54 11.79 Favored 'General case' 0 N--CA 1.444 -0.747 0 O-C-N 124.244 0.965 . . . . 0.0 108.962 171.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -82.68 122.65 28.42 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.843 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.441 ' HB ' ' H ' ' A' ' 114' ' ' LYS . 9.6 t -92.92 -91.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.05 -178.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.441 ' H ' ' HB ' ' A' ' 113' ' ' VAL . 0.0 OUTLIER -122.19 172.04 8.56 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.554 177.566 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -111.76 141.95 44.72 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.031 0.443 . . . . 0.0 110.98 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.53 ' HB3' ' O ' ' A' ' 85' ' ' TRP . 42.8 t -90.66 115.48 27.79 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.082 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.7 t -81.6 56.51 3.01 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 55.52 48.7 18.23 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.457 -175.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 . . . . . 0 C--O 1.247 0.969 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.408 -176.879 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.56 -175.85 5.09 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.1 mmt -100.2 135.4 41.69 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -63.19 114.23 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.519 0.676 . . . . 0.0 111.312 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -165.11 142.57 6.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.938 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.5 p -175.99 144.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.721 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.3 m 57.54 58.64 3.66 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.298 0.57 . . . . 0.0 111.614 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -118.54 161.83 33.59 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.223 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -48.12 153.29 2.91 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.416 2.744 . . . . 0.0 113.449 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.12 22.24 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.583 0.706 . . . . 0.0 110.618 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -133.87 133.71 41.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.354 176.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -133.8 141.22 47.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.226 0.536 . . . . 0.0 111.193 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.1 mt -100.11 132.69 45.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.493 175.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.9 p -136.56 149.25 47.99 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.229 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -109.63 134.84 51.48 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.625 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 1.4 p-80 -142.44 158.57 43.55 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.855 -178.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -74.49 151.89 39.47 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.41 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 20.7 pt -49.93 -26.62 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -166.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -74.24 -10.02 59.19 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.79 7.56 33.55 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.578 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.444 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 30.3 mm -85.25 118.55 32.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 110.577 -0.157 . . . . 0.0 110.577 -173.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -67.26 123.85 21.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 111.421 -176.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 p -107.51 -32.3 7.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.805 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -150.53 132.99 15.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.619 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.415 ' O ' ' HB3' ' A' ' 37' ' ' PRO . 90.6 t -129.55 138.48 54.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.657 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -78.6 149.01 33.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.287 175.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.409 ' O ' HG22 ' A' ' 30' ' ' VAL . 68.2 m80 -56.66 -20.64 22.48 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.801 -173.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -62.76 -7.16 4.46 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.901 0.381 . . . . 0.0 111.683 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.9 t -58.68 -37.11 75.34 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 176.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 27' ' ' HIS . 20.8 m -66.7 -35.51 74.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.943 -176.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.05 -50.93 14.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.45 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 m -54.53 -48.92 71.4 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.683 ' HB ' ' HA ' ' A' ' 80' ' ' SER . 13.2 m -132.28 -28.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -173.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.55 -20.93 11.9 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 119.521 -1.323 . . . . 0.0 112.826 -177.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.52 ' H ' HG23 ' A' ' 33' ' ' VAL . 16.1 m-85 -71.31 138.91 49.69 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.753 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 65.1 mm-40 -78.41 148.25 73.51 Favored Pre-proline 0 C--N 1.308 -1.211 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 171.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.494 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 88.0 Cg_exo -46.42 -44.85 20.07 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.167 1.911 . . . . 0.0 111.269 177.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -59.11 -38.49 79.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.484 -1.234 . . . . 0.0 111.527 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.753 ' HG3' ' HB2' ' A' ' 36' ' ' GLN . 41.8 mt-10 -67.52 -26.94 66.58 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.916 0.389 . . . . 0.0 110.936 -173.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.6 mt -79.71 -32.5 41.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.818 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 30.9 mt -64.93 108.39 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.513 -177.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.12 -22.92 7.43 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.668 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -108.94 177.9 4.63 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.699 0.761 . . . . 0.0 111.552 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.515 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 30.6 t-20 -110.69 145.95 37.1 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.537 -1.21 . . . . 0.0 109.549 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.7 tt -61.7 -24.4 33.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.289 176.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.6 t -71.73 -25.9 25.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.472 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.515 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 68.9 mm-40 -62.91 -35.25 79.45 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.32 0.581 . . . . 0.0 110.257 177.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -105.82 11.57 31.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.347 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.571 ' SG ' HD12 ' A' ' 57' ' ' LEU . 41.7 t -87.27 132.36 33.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.818 176.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.525 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 30.3 t-80 -45.35 125.78 5.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.741 174.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -49.78 -29.97 21.68 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.917 3.078 . . . . 0.0 114.316 -171.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -90.08 -5.44 56.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.026 0.441 . . . . 0.0 111.248 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -107.53 -5.75 17.39 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -175.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -61.17 -42.68 99.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.379 -175.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -36.07 79.78 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.8 tp -59.99 -51.67 68.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.173 178.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.571 HD12 ' SG ' ' A' ' 49' ' ' CYS . 13.1 mt -62.32 -44.38 96.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.936 175.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.596 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 70.8 ttt180 -56.57 -49.68 74.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.81 0.338 . . . . 0.0 110.38 -178.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.678 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 21.8 t70 -67.85 -38.98 83.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.742 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.4 p -65.89 -40.12 91.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.699 0.762 . . . . 0.0 110.307 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.609 ' O ' HG23 ' A' ' 65' ' ' VAL . 12.5 m-85 -64.72 -36.67 85.03 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.802 175.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 16.0 mm100 -65.35 -35.16 80.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.481 176.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.678 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 32.5 mm-40 -62.06 -51.51 67.69 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.455 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.97 -21.14 27.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.56 -176.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 61' ' ' PHE . 71.7 t -69.97 -42.7 79.67 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 CA-C-O 121.219 0.533 . . . . 0.0 109.868 176.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 63' ' ' GLN . 13.5 ptmm? -85.67 -18.51 32.97 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.569 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.625 HD12 HD23 ' A' ' 72' ' ' LEU . 47.7 mt -94.81 29.75 2.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.229 175.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 82.5 mttt -29.58 109.72 0.05 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.1 -19.14 35.43 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.665 175.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -95.35 139.55 31.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.8 0.333 . . . . 0.0 110.803 -177.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.2 t -78.37 117.34 23.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.168 177.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.625 HD23 HD12 ' A' ' 67' ' ' LEU . 1.2 tm? -101.47 115.55 30.77 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -176.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.4 p -93.06 121.03 33.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.699 0.285 . . . . 0.0 110.731 -177.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.1 p -130.57 135.74 59.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.801 0.81 . . . . 0.0 110.319 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 21.3 ttt -114.31 124.3 51.64 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.115 -174.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.45 ' HE1' ' OG1' ' A' ' 90' ' ' THR . 19.7 p90 -148.5 178.38 8.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -176.058 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.525 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 91.8 mtt180 -103.35 118.58 37.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.88 0.372 . . . . 0.0 110.8 176.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.624 ' CD1' HG11 ' A' ' 33' ' ' VAL . 8.6 t80 -91.75 137.12 32.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.512 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.427 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 6.2 ttm180 -81.34 108.51 15.02 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.233 176.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.712 ' HB3' HD11 ' A' ' 86' ' ' LEU . 90.1 p -63.79 -178.53 0.31 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.699 0.761 . . . . 0.0 112.117 174.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.445 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 21.8 tptm -76.87 -7.43 55.48 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.424 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -96.88 1.68 50.83 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.957 -1.02 . . . . 0.0 108.654 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 66.23 27.88 10.16 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.601 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -107.54 152.52 24.13 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.523 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 52.4 m95 -111.01 101.11 9.69 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.022 0.439 . . . . 0.0 110.753 -171.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.712 HD11 ' HB3' ' A' ' 80' ' ' SER . 0.0 OUTLIER -100.17 159.18 15.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.948 -177.531 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.601 ' HD1' ' O ' ' A' ' 114' ' ' LYS . 95.3 m95 -71.52 124.34 24.44 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.415 178.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.637 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 2.8 tpp -133.58 124.56 27.1 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.729 174.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -97.87 111.66 23.87 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.45 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 98.3 m -94.37 127.52 40.31 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.196 0.522 . . . . 0.0 110.851 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.8 m -94.96 115.51 27.54 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.127 174.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.435 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 10.4 m -94.05 125.59 38.77 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.55 -174.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.534 ' HE2' ' HD1' ' A' ' 95' ' ' PHE . 60.0 t80 -124.54 135.02 52.83 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 171.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.466 ' HB ' HD13 ' A' ' 103' ' ' ILE . 1.1 p -99.58 110.0 22.47 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.117 0.484 . . . . 0.0 110.478 175.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.534 ' HD1' ' HE2' ' A' ' 93' ' ' PHE . 24.4 t80 -79.53 107.92 12.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.624 -174.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.507 ' HG2' HG12 ' A' ' 103' ' ' ILE . 53.0 mt-30 -99.56 143.99 29.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.736 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.634 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 8.2 t-20 -82.24 122.65 79.48 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 174.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 99' ' ' TYR . 20.1 Cg_endo -61.59 -20.63 69.5 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 122.625 2.216 . . . . 0.0 112.869 -174.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.413 ' CD1' ' HG2' ' A' ' 98' ' ' PRO . 80.9 m-85 -104.62 -11.81 16.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.439 -177.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.634 ' HB2' ' HB3' ' A' ' 97' ' ' ASN . 17.7 m -112.5 -25.44 9.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.595 0.236 . . . . 0.0 111.311 -176.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.8 t70 73.24 -19.3 0.33 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.73 0.812 . . . . 0.0 111.517 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.484 ' HG2' ' CB ' ' A' ' 100' ' ' SER . 12.4 pt-20 -76.24 170.15 16.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.376 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.573 HD11 ' HG2' ' A' ' 68' ' ' LYS . 71.2 mt -103.73 125.39 58.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.256 0.55 . . . . 0.0 110.336 -179.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.445 ' HG2' ' H ' ' A' ' 104' ' ' GLU . 1.6 mm-40 -67.42 -49.2 64.78 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.048 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.477 ' HB2' ' O ' ' A' ' 16' ' ' HIS . 2.8 p90 -179.03 -174.59 0.35 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.438 -1.255 . . . . 0.0 109.519 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.625 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 64.8 mt -101.08 139.91 21.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 57.8 mt -113.32 111.99 38.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.404 ' HB2' HG23 ' A' ' 90' ' ' THR . 6.1 p -112.23 119.53 38.67 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.279 0.561 . . . . 0.0 112.161 -173.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.9 m -88.37 130.03 35.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 170.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.637 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 35.0 m-80 -119.05 113.86 21.6 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.254 -171.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.2 m -112.59 114.11 26.58 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.805 -176.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -82.2 120.71 25.7 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.424 -178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.448 HG12 ' H ' ' A' ' 114' ' ' LYS . 2.1 t -92.57 -140.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.651 -173.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.601 ' O ' ' HD1' ' A' ' 87' ' ' TRP . 0.0 OUTLIER -129.33 -154.54 0.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 119.186 -0.435 . . . . 0.0 110.284 -170.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 87' ' ' TRP . 23.0 t-20 74.83 -48.64 0.65 Allowed 'General case' 0 N--CA 1.474 0.748 0 O-C-N 123.693 0.621 . . . . 0.0 111.05 178.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' A' ' 86' ' ' LEU . 5.5 p -83.42 12.33 5.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.081 177.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.414 ' OG ' ' HE3' ' A' ' 114' ' ' LYS . 10.5 m -73.3 113.57 10.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.671 -178.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -85.75 -42.56 14.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.902 -176.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.956 -178.467 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.531 ' O ' ' HA ' ' A' ' 5' ' ' ASN . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.736 -0.545 . . . . 0.0 111.736 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.31 171.93 7.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.747 0.273 . . . . 0.0 110.647 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.0 mmt 69.47 -66.05 0.28 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.812 0.695 . . . . 0.0 111.981 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -104.45 -18.82 14.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.457 0.17 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.531 ' HA ' ' O ' ' A' ' 1' ' ' GLY . 0.7 OUTLIER 69.3 -75.59 0.07 Allowed 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.746 0.653 . . . . 0.0 110.441 -177.742 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.431 HG22 ' H ' ' A' ' 7' ' ' CYS . 1.3 p -179.02 -172.35 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.431 ' H ' HG22 ' A' ' 6' ' ' VAL . 2.0 p -61.65 91.54 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.484 0.584 . . . . 0.0 111.275 177.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -111.14 139.09 21.5 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.947 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.658 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 34.5 Cg_exo -61.22 157.13 41.5 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 123.33 2.687 . . . . 0.0 111.841 171.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 m -88.98 16.12 7.52 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.226 0.536 . . . . 0.0 111.749 -170.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.563 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 18.2 mt-10 -128.49 134.45 48.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 177.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 29' ' ' CYS . 37.8 p90 -133.3 139.37 46.84 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.99 178.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.2 tt -96.67 142.85 13.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.7 t -138.0 143.78 40.78 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.297 0.57 . . . . 0.0 111.025 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -112.53 115.79 29.2 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 172.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.465 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -128.96 162.53 27.37 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.734 0.778 . . . . 0.0 112.214 -172.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.02 146.16 47.84 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.257 -1.338 . . . . 0.0 108.485 177.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.7 pt -50.31 -23.68 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -170.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -79.84 -8.94 59.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.685 0.278 . . . . 0.0 111.222 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.65 11.02 31.78 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 121.003 -0.618 . . . . 0.0 111.973 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.465 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 43.5 mm -86.95 123.71 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -174.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -68.61 127.62 33.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.173 0.511 . . . . 0.0 111.26 -177.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.2 m -118.11 -40.95 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.995 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -133.27 121.83 23.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.328 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.2 t -131.77 138.71 52.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.743 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -85.73 148.26 25.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.273 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.45 ' HA ' ' CG ' ' A' ' 37' ' ' PRO . 47.3 m-70 -56.22 -17.4 7.36 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.658 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 49.0 mtm180 -62.2 -12.42 20.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.496 0.188 . . . . 0.0 111.424 176.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.486 ' HA ' ' CD1' ' A' ' 12' ' ' PHE . 43.8 t -53.01 -34.66 57.33 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.147 0.499 . . . . 0.0 111.615 174.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 5' ' ' ASN . 48.0 t -65.35 -43.35 94.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.278 -177.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.53 -46.18 64.11 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.462 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.506 HG22 HG13 ' A' ' 33' ' ' VAL . 5.4 m -60.67 -58.02 10.22 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 177.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.506 HG13 HG22 ' A' ' 32' ' ' THR . 33.8 m -134.32 20.03 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -167.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.44 -23.55 1.91 Allowed Glycine 0 CA--C 1.521 0.408 0 N-CA-C 114.679 0.632 . . . . 0.0 114.679 172.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.43 ' CD2' HD21 ' A' ' 40' ' ' LEU . 22.8 m-85 -78.1 150.77 33.64 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 117.347 0.574 . . . . 0.0 110.831 -174.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.447 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 4.5 mm100 -91.07 144.45 29.99 Favored Pre-proline 0 C--N 1.312 -1.062 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 173.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.524 ' HB2' ' OE1' ' A' ' 38' ' ' GLN . 89.2 Cg_exo -46.19 -45.87 17.52 Favored 'Trans proline' 0 CA--C 1.519 -0.241 0 C-N-CA 122.319 2.012 . . . . 0.0 112.483 -176.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.524 ' OE1' ' HB2' ' A' ' 37' ' ' PRO . 4.3 mm100 -63.26 -34.45 77.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.108 -176.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.447 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 11.2 mm-40 -67.59 -28.06 67.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.711 -176.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.43 HD21 ' CD2' ' A' ' 35' ' ' TYR . 33.6 mt -80.85 -27.01 36.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.383 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.4 mt -63.88 106.46 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.089 0.471 . . . . 0.0 110.222 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.68 -18.64 9.2 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.656 -176.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.685 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 9.9 mmpt? -105.58 156.84 17.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.026 0.441 . . . . 0.0 110.751 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.429 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 29.2 t-20 -94.96 148.3 22.46 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.4 tt -62.29 -23.75 32.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.099 0.476 . . . . 0.0 109.923 174.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.481 HG13 ' HG3' ' A' ' 54' ' ' GLN . 97.7 t -71.48 -28.33 31.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.542 176.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.429 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 7.4 mm-40 -59.95 -36.29 76.77 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.499 0.666 . . . . 0.0 110.48 178.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -109.31 18.92 19.96 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.285 -177.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.43 ' SG ' HD12 ' A' ' 57' ' ' LEU . 42.2 t -92.84 135.48 34.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.231 177.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.857 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 37.7 t-80 -45.15 122.39 5.03 Favored Pre-proline 0 C--O 1.221 -0.424 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.026 174.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -49.43 -26.85 12.74 Favored 'Trans proline' 0 N--CA 1.478 0.618 0 C-N-CA 124.021 3.147 . . . . 0.0 114.548 -169.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.7 -4.59 58.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.692 0.282 . . . . 0.0 111.476 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -108.96 0.83 20.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.108 -172.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.481 ' HG3' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -53.13 -49.64 66.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.099 -179.176 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -73.7 -29.95 62.58 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.163 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.5 tp -58.72 -49.06 79.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.943 0.401 . . . . 0.0 110.3 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.51 HD21 ' CD1' ' A' ' 76' ' ' PHE . 13.1 mt -66.68 -49.43 66.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.609 175.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 46.2 ttt180 -54.62 -50.93 66.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -176.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.591 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 16.9 t70 -62.32 -43.38 98.95 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -177.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 55.5 m -71.38 -32.07 68.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.888 -175.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.55 ' O ' HG23 ' A' ' 65' ' ' VAL . 15.7 m-30 -69.85 -32.76 71.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 85.3 mm-40 -72.92 -29.22 62.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.992 176.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 81.1 mm-40 -61.34 -47.85 84.03 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.476 177.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.504 HG11 ' HB3' ' A' ' 92' ' ' SER . 7.4 p -71.08 -24.09 24.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.098 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 61' ' ' PHE . 85.8 t -71.88 -25.57 24.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 121.307 0.575 . . . . 0.0 109.679 173.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -82.75 -39.8 21.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.382 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.649 HD11 HD23 ' A' ' 72' ' ' LEU . 63.6 mt -67.57 -53.46 28.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.417 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.721 ' HG2' HD11 ' A' ' 103' ' ' ILE . 99.4 mttt 58.66 92.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.923 0.764 . . . . 0.0 112.001 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.25 -18.26 36.27 Favored Glycine 0 C--N 1.317 -0.509 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.622 176.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.509 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 11.0 mm100 -96.95 142.49 28.86 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.0 p -77.11 127.13 38.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.459 0.647 . . . . 0.0 110.928 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.649 HD23 HD11 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -120.76 113.57 20.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.037 178.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.5 t -101.79 120.5 40.47 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.068 0.461 . . . . 0.0 110.614 -173.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.4 p -121.72 137.23 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 CA-C-O 121.915 0.864 . . . . 0.0 110.579 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 22.3 ttt -113.92 128.55 56.44 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.506 -172.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.51 ' CD1' HD21 ' A' ' 57' ' ' LEU . 20.0 p90 -152.07 179.06 8.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.936 -175.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.857 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 60.2 mtt180 -99.58 116.78 32.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -94.08 129.98 40.42 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.419 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 3.4 ttm180 -77.23 100.2 5.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.945 0.402 . . . . 0.0 110.484 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.452 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 41.7 t -69.8 175.69 4.13 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.931 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -67.01 -15.13 63.53 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -170.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.459 ' HB2' ' OE1' ' A' ' 84' ' ' GLU . 11.8 m-80 -102.23 15.07 30.22 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 69.21 23.31 6.4 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.146 175.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.459 ' OE1' ' HB2' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -91.11 155.76 18.4 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.015 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.47 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 79.1 m95 -115.01 84.48 2.09 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.168 0.509 . . . . 0.0 109.66 -176.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.453 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.3 pp -87.81 162.02 17.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.969 -174.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.844 ' HB2' ' HB2' ' A' ' 114' ' ' LYS . 97.3 m95 -82.88 111.07 18.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.442 0.639 . . . . 0.0 111.103 -177.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.7 ' HE1' ' HB3' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -122.26 133.3 54.7 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.554 -179.368 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -113.47 120.95 42.77 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.445 ' CG2' ' HB2' ' A' ' 108' ' ' CYS . 66.2 m -104.75 129.32 53.0 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.791 -177.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.498 ' OG ' ' HB ' ' A' ' 109' ' ' THR . 8.3 p -94.43 126.67 39.85 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.504 ' HB3' HG11 ' A' ' 64' ' ' VAL . 5.0 m -100.59 127.39 46.99 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.784 -173.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -127.54 134.18 49.77 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 170.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.59 ' HB ' HD13 ' A' ' 103' ' ' ILE . 2.2 p -105.56 114.33 28.43 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 120.819 0.342 . . . . 0.0 110.122 176.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -83.94 109.71 17.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.844 -174.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.514 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 56.1 mt-30 -83.89 124.01 30.54 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.541 174.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.441 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 19.0 t-20 -65.16 126.4 91.24 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.511 -177.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.47 -23.96 26.62 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.792 2.995 . . . . 0.0 114.394 -172.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -124.24 28.41 6.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.441 ' HB3' ' HB3' ' A' ' 97' ' ' ASN . 27.5 t -145.96 -24.47 0.45 Allowed 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.136 175.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 69.75 -7.4 0.9 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.482 0.713 . . . . 0.0 112.464 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.514 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 10.8 pt-20 -82.46 173.22 12.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.721 HD11 ' HG2' ' A' ' 68' ' ' LYS . 91.4 mt -102.63 116.46 46.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.303 0.573 . . . . 0.0 110.047 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.463 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 5.7 pt-20 -75.66 -41.36 54.19 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -169.8 178.23 4.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.397 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.447 ' HB ' ' CE1' ' A' ' 16' ' ' HIS . 57.3 mt -104.26 139.11 26.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.798 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 64.5 mt -115.78 106.82 21.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.445 ' HB2' ' CG2' ' A' ' 90' ' ' THR . 28.0 p -115.1 137.86 51.54 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.978 0.418 . . . . 0.0 111.474 -173.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.498 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 23.2 m -96.45 125.35 40.88 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 170.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.7 ' HB3' ' HE1' ' A' ' 88' ' ' MET . 38.6 m-80 -106.12 111.23 23.76 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -174.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.5 m -117.47 126.73 53.11 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.288 -173.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.456 ' HB2' HG23 ' A' ' 32' ' ' THR . 4.5 t30 -84.43 114.63 22.05 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.616 177.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.523 HG12 ' HG3' ' A' ' 114' ' ' LYS . 25.4 t -93.52 -51.86 10.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.324 0.583 . . . . 0.0 111.327 -174.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.844 ' HB2' ' HB2' ' A' ' 87' ' ' TRP . 29.4 mtpp -137.88 -177.54 4.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.564 -173.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.434 ' O ' ' HB3' ' A' ' 116' ' ' SER . 10.7 t-20 -124.03 -30.72 3.46 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.588 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.565 ' HB2' ' CD1' ' A' ' 87' ' ' TRP . 47.1 t 73.29 -71.56 0.13 Allowed 'General case' 0 C--O 1.237 0.396 0 O-C-N 123.772 0.67 . . . . 0.0 110.8 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 118' ' ' GLN . 35.1 m -157.16 152.26 26.06 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -178.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.424 ' HB3' ' O ' ' A' ' 117' ' ' SER . 47.6 tt0 77.76 91.09 0.06 Allowed 'General case' 0 N--CA 1.464 0.258 0 O-C-N 124.218 0.949 . . . . 0.0 111.85 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 . . . . . 0 C--O 1.25 1.101 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.552 169.491 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.541 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.47 114.25 17.21 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.9 mtt 64.53 -156.98 0.3 Allowed 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.34 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 66.74 27.32 9.31 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.004 0.521 . . . . 0.0 111.901 177.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -151.47 130.01 12.21 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.8 p -177.29 166.81 0.1 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 109.389 -0.596 . . . . 0.0 109.389 -176.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.4 m 62.86 56.93 1.79 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.719 0.771 . . . . 0.0 110.713 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.641 ' HB3' ' HG2' ' A' ' 28' ' ' ARG . 82.7 mm-40 -119.57 167.05 13.01 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.865 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -50.55 153.38 7.8 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.76 2.307 . . . . 0.0 112.401 170.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.499 ' HB ' ' HB3' ' A' ' 112' ' ' ASN . 39.3 p -89.13 32.86 0.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.217 0.532 . . . . 0.0 111.657 -177.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 110' ' ' ASN . 25.1 tt0 -126.65 133.66 50.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 172.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -146.25 155.46 42.69 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.184 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.481 HG12 HG23 ' A' ' 109' ' ' THR . 57.5 mt -111.3 134.69 52.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.752 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.7 p -136.66 141.33 43.17 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.126 0.489 . . . . 0.0 111.165 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -109.54 126.75 53.89 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.426 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -145.68 150.45 36.32 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.007 -175.384 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -76.25 166.96 22.7 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.4 pt -56.63 -16.6 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 124.633 1.208 . . . . 0.0 114.014 -168.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -83.44 -15.6 49.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.051 0.453 . . . . 0.0 110.327 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.41 10.89 26.54 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.229 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.0 mm -89.49 123.06 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 116.884 0.342 . . . . 0.0 110.922 -171.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.439 ' CE1' ' HB ' ' A' ' 45' ' ' ILE . 88.2 m-85 -72.76 132.55 43.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 111.777 -176.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.1 p -119.76 -20.22 7.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.436 174.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -153.86 133.66 13.05 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.539 174.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.84 138.5 22.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.094 0.473 . . . . 0.0 111.021 177.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -70.3 148.68 48.22 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.334 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.421 ' HA ' ' CG ' ' A' ' 37' ' ' PRO . 70.8 m80 -62.8 -19.51 64.12 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.691 -172.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.641 ' HG2' ' HB3' ' A' ' 8' ' ' GLN . 80.6 mtt85 -67.14 -6.43 17.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.578 0.228 . . . . 0.0 111.387 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.4 t -55.31 -41.21 72.08 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.067 0.46 . . . . 0.0 111.203 178.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.681 HG22 ' HA ' ' A' ' 36' ' ' GLN . 16.4 t -64.67 -37.37 79.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.196 0.522 . . . . 0.0 109.785 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.71 -50.83 39.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.045 -177.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.551 HG23 ' HB2' ' A' ' 112' ' ' ASN . 30.4 m -59.24 -52.92 63.6 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' A' ' 78' ' ' PHE . 35.9 m -125.63 -27.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -169.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.567 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 120.75 -20.71 8.65 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 118.973 -1.584 . . . . 0.0 113.452 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.557 ' H ' HG23 ' A' ' 33' ' ' VAL . 22.5 m-85 -81.19 136.45 35.86 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 120.802 0.334 . . . . 0.0 110.699 -178.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.734 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 44.7 mm-40 -76.48 149.21 81.13 Favored Pre-proline 0 C--N 1.311 -1.1 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 173.056 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.513 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 85.4 Cg_exo -48.26 -42.91 33.02 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.07 1.847 . . . . 0.0 110.949 175.012 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -55.78 -42.23 75.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.734 ' HG3' ' HB2' ' A' ' 36' ' ' GLN . 40.0 mt-10 -69.99 -23.96 63.23 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.329 -171.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 66.2 mt -86.13 -26.02 25.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.501 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 64.3 mt -62.92 106.78 0.87 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.261 0.553 . . . . 0.0 111.178 -176.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.2 -11.34 33.87 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.984 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.748 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 10.3 mmpt? -105.58 160.87 14.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.836 0.351 . . . . 0.0 110.409 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.539 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 20.9 t-20 -96.52 138.95 33.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.317 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.439 ' HB ' ' CE1' ' A' ' 22' ' ' PHE . 14.5 tt -62.32 -24.69 35.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.262 174.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.4 t -71.13 -25.74 26.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.475 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.539 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 19.2 mm-40 -67.88 -39.13 83.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.311 0.577 . . . . 0.0 110.643 177.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -100.15 19.66 16.01 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.218 -178.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.2 t -96.24 142.47 28.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.452 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.677 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 35.1 t-80 -47.38 127.62 9.96 Favored Pre-proline 0 C--N 1.332 -0.166 0 O-C-N 123.783 0.677 . . . . 0.0 109.809 172.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.456 ' HD2' ' CD2' ' A' ' 50' ' ' HIS . 7.3 Cg_endo -48.56 -44.52 30.23 Favored 'Trans proline' 0 N--CA 1.473 0.315 0 C-N-CA 123.559 2.84 . . . . 0.0 113.572 -169.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -77.08 -5.11 47.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.423 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 2.7 m-20 -110.74 -5.04 15.06 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -175.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -65.09 -36.48 84.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.127 -173.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -75.4 -29.93 59.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.949 0.404 . . . . 0.0 110.253 174.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.425 HD21 HG22 ' A' ' 74' ' ' VAL . 3.0 tt -63.28 -40.38 97.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.385 177.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 57' ' ' LEU . 15.1 mt -67.32 -45.36 76.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.99 175.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.468 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 59.3 mtt180 -58.68 -47.02 85.94 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.704 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.93 -43.79 94.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.443 -177.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.5 p -71.19 -47.53 56.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.377 0.608 . . . . 0.0 111.27 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.658 ' O ' HG12 ' A' ' 64' ' ' VAL . 9.1 m-85 -64.78 -36.55 84.69 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.904 -177.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 3.3 pt20 -73.75 -25.99 60.44 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.069 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.462 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 66.2 mt-30 -76.65 -28.67 56.11 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.651 177.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 61' ' ' PHE . 8.7 p -71.63 -26.68 26.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 119.396 -0.922 . . . . 0.0 109.289 173.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.824 ' HA ' HG21 ' A' ' 94' ' ' THR . 59.5 t -72.12 -28.63 29.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 121.243 0.544 . . . . 0.0 109.587 172.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 55.4 mtpt -78.8 -38.27 38.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.651 175.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.559 ' HB3' ' HB3' ' A' ' 70' ' ' GLN . 69.5 mt -67.84 -52.06 41.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.084 178.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.723 ' HG2' HD11 ' A' ' 103' ' ' ILE . 89.3 mttt 62.36 99.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.814 0.696 . . . . 0.0 112.124 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.97 -11.44 65.96 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.773 176.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.559 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 51.0 tp60 -98.06 138.62 35.1 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.555 ' HA ' ' O ' ' A' ' 92' ' ' SER . 96.8 t -76.8 118.76 23.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.216 0.531 . . . . 0.0 111.086 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.504 HD23 HD12 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -99.67 114.13 27.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.421 -0.808 . . . . 0.0 108.92 -179.719 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.9 p -96.45 120.91 37.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.173 0.511 . . . . 0.0 110.508 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.425 HG22 HD21 ' A' ' 56' ' ' LEU . 14.7 p -138.74 138.06 42.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.89 0.853 . . . . 0.0 110.695 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 15.2 ttt -113.17 137.31 51.65 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.147 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -161.7 178.6 8.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.995 -176.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.677 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 13.6 mtp180 -107.47 116.29 31.68 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.172 0.511 . . . . 0.0 110.46 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.571 ' CD1' HG11 ' A' ' 33' ' ' VAL . 14.0 t80 -89.46 145.5 25.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.055 -178.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.637 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 47.6 ttp180 -84.03 110.22 18.28 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.67 0.748 . . . . 0.0 111.553 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.6 ' HB3' ' HB2' ' A' ' 84' ' ' GLU . 18.8 t -54.87 159.85 2.16 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.051 170.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.567 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 22.4 tptm -66.26 -9.88 36.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.716 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -102.99 13.26 34.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 64.71 45.61 3.38 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.107 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.637 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 26.1 mt-10 -108.94 160.97 15.58 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.349 177.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -113.09 95.06 5.19 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 120.843 0.354 . . . . 0.0 110.109 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.553 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.3 pp -98.19 159.71 14.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.134 0.492 . . . . 0.0 111.803 -177.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -90.32 127.02 36.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.799 -174.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.8 ptp -143.34 152.02 41.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.444 171.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -115.97 117.51 30.35 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 174.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.43 ' CG2' ' HB2' ' A' ' 108' ' ' CYS . 89.2 m -100.86 135.28 42.56 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.181 -174.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.589 ' OG ' ' HB ' ' A' ' 109' ' ' THR . 33.4 p -104.03 121.17 42.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.555 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 3.8 m -100.68 137.29 39.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.334 -173.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -130.31 143.27 50.67 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 171.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.824 HG21 ' HA ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -111.24 119.03 37.56 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 120.834 0.35 . . . . 0.0 110.563 177.19 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -77.52 100.07 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.729 -174.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -83.29 126.96 33.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.659 174.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -69.87 121.71 83.62 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 169.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.25 9.4 0.4 Allowed 'Trans proline' 0 N--CA 1.475 0.405 0 C-N-CA 122.787 2.324 . . . . 0.0 114.19 -171.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -127.48 -44.55 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.725 0.298 . . . . 0.0 111.499 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.1 m -90.96 -12.65 35.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.728 0.299 . . . . 0.0 111.141 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 t70 64.01 3.83 1.81 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.68 0.792 . . . . 0.0 112.122 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -85.03 168.1 15.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.927 0.394 . . . . 0.0 110.286 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.733 HD12 ' HB ' ' A' ' 94' ' ' THR . 48.3 mm -100.51 123.85 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.036 -178.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -65.96 -50.53 64.02 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.77 0.795 . . . . 0.0 109.269 174.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -174.95 177.23 2.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 113.955 -1.475 . . . . 0.0 108.83 -176.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.426 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 52.3 mt -96.89 145.23 9.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 58.6 mt -120.69 106.75 19.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.43 ' HB2' ' CG2' ' A' ' 90' ' ' THR . 1.8 p -105.08 113.13 26.54 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.27 0.557 . . . . 0.0 111.148 -174.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.589 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 8.4 m -85.74 134.68 33.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.855 174.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.425 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 0.4 OUTLIER -110.81 131.96 54.61 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.532 -171.671 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 90.5 m -126.1 109.69 12.66 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.84 172.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.551 ' HB2' HG23 ' A' ' 32' ' ' THR . 2.6 t-20 -82.89 119.47 24.44 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.142 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.43 ' HB ' ' H ' ' A' ' 114' ' ' LYS . 2.5 t -88.9 -113.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.206 -175.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.43 ' H ' ' HB ' ' A' ' 113' ' ' VAL . 7.6 ptpp? -147.72 -165.73 2.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.454 -0.153 . . . . 0.0 111.395 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 73.02 45.97 0.26 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 122.157 0.98 . . . . 0.0 110.486 173.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.7 p -154.9 44.49 0.5 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.817 177.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.3 m -142.81 142.71 31.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.021 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -82.51 -15.02 53.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.924 0.392 . . . . 0.0 110.579 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 . . . . . 0 C--O 1.245 0.826 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.544 175.238 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.463 ' HA2' ' OE2' ' A' ' 39' ' ' GLU . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.511 ' HB3' ' HG3' ' A' ' 36' ' ' GLN . . . -134.68 -64.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.699 0.25 . . . . 0.0 111.471 -177.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.521 ' O ' ' HB2' ' A' ' 4' ' ' ASP . 26.9 ttt 67.75 117.62 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.772 0.67 . . . . 0.0 110.755 -175.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.521 ' HB2' ' O ' ' A' ' 3' ' ' MET . 7.7 m-20 75.89 144.46 0.08 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.868 -175.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.933 ' HB2' HG11 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -144.18 -65.06 0.36 Allowed 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -175.047 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.412 HG23 HD21 ' A' ' 5' ' ' ASN . 47.5 t -142.96 137.53 26.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 114.514 -1.221 . . . . 0.0 108.447 178.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.1 m -68.46 95.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.176 0.512 . . . . 0.0 109.846 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.528 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 35.2 mt-30 -118.6 170.42 6.5 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.871 -173.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 8' ' ' GLN . 87.6 Cg_exo -48.38 156.82 1.54 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.14 2.56 . . . . 0.0 112.701 170.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.439 ' HB ' ' HB3' ' A' ' 112' ' ' ASN . 0.8 OUTLIER -87.69 30.26 0.83 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.258 -176.662 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.576 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 50.3 mt-10 -132.46 134.26 44.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -131.31 151.47 51.47 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.652 176.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.4 mt -97.72 118.59 44.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.281 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.5 p -115.33 121.36 42.59 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.157 0.503 . . . . 0.0 110.358 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.543 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 29.9 mtm180 -102.49 113.23 26.4 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 175.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.406 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -131.5 147.29 52.53 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.596 -172.389 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -68.49 153.8 43.06 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.3 pt -51.07 -24.02 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 124.312 1.008 . . . . 0.0 113.39 -167.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' HB2' HG12 ' A' ' 21' ' ' ILE . 26.2 mt-10 -67.25 -19.89 65.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.076 0.465 . . . . 0.0 111.058 177.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.62 2.53 30.74 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.018 -173.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.405 HG12 ' HB2' ' A' ' 19' ' ' GLU . 40.0 mm -82.52 122.46 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 111.51 0.189 . . . . 0.0 111.51 -171.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.498 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 91.5 m-85 -76.28 120.04 20.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.748 0.309 . . . . 0.0 111.067 -177.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.2 t -118.07 -13.76 9.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.512 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.543 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 82.5 t80 -147.39 118.02 7.52 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 173.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.576 HG21 ' HB3' ' A' ' 40' ' ' LEU . 94.2 t -122.33 131.71 72.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.918 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -74.29 147.68 42.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.692 174.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.53 ' HA ' ' HG3' ' A' ' 37' ' ' PRO . 31.3 m80 -66.84 -15.49 63.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.231 -168.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.7 mtt85 -70.79 -3.89 21.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.948 0.404 . . . . 0.0 111.107 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.2 p -62.87 -35.76 81.06 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.029 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.933 HG11 ' HB2' ' A' ' 5' ' ' ASN . 9.7 m -59.99 -40.29 82.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.541 -179.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.41 -50.51 15.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.427 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.495 HG23 ' HB2' ' A' ' 112' ' ' ASN . 23.4 m -52.19 -54.45 30.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.783 177.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.619 HG11 ' CD1' ' A' ' 78' ' ' PHE . 17.1 m -127.64 -28.67 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -171.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.539 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 117.49 -21.71 10.53 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 119.413 -1.375 . . . . 0.0 113.212 -177.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.517 ' H ' HG23 ' A' ' 33' ' ' VAL . 22.2 m-85 -71.64 142.61 49.93 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.595 ' HA ' HG12 ' A' ' 30' ' ' VAL . 5.0 mm100 -86.45 161.12 49.45 Favored Pre-proline 0 C--N 1.312 -1.058 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 172.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.726 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 72.6 Cg_exo -49.42 -50.48 12.91 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.529 1.486 . . . . 0.0 110.04 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -58.05 -46.14 85.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.301 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.491 ' OE1' ' HG2' ' A' ' 36' ' ' GLN . 66.6 mt-10 -64.86 -26.74 68.46 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.613 0.244 . . . . 0.0 111.291 -174.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.576 ' HB3' HG21 ' A' ' 25' ' ' VAL . 18.7 tp -88.94 -25.95 21.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.855 0.359 . . . . 0.0 110.75 -177.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.726 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 88.7 mt -62.25 121.47 13.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.397 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.63 -5.84 40.88 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.946 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 9.0 mmpt? -108.69 156.52 19.48 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.557 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 31.1 t-20 -97.46 144.97 26.66 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 175.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.498 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 14.2 tt -60.71 -32.77 52.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 177.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.46 ' HA ' ' CB ' ' A' ' 49' ' ' CYS . 9.7 p -68.19 -22.7 27.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 120.761 0.315 . . . . 0.0 111.195 177.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.557 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 22.7 mm-40 -71.83 -31.58 66.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.383 0.611 . . . . 0.0 110.401 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -106.57 19.48 20.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.52 175.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.462 ' SG ' ' HA ' ' A' ' 54' ' ' GLN . 36.0 t -93.97 132.13 38.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.445 177.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.555 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 16.4 t-80 -48.17 126.89 12.1 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.211 175.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.23 -29.17 28.52 Favored 'Trans proline' 0 N--CA 1.479 0.647 0 C-N-CA 123.949 3.099 . . . . 0.0 114.372 -171.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -84.22 -8.49 59.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.06 0.457 . . . . 0.0 110.717 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.577 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 4.5 m-20 -120.82 1.32 10.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.71 -170.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.462 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 87.8 mt-30 -60.29 -42.01 94.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.242 -177.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.497 ' OE1' ' HD2' ' A' ' 58' ' ' ARG . 13.4 mm100 -73.34 -28.36 62.02 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.856 176.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.577 ' HB3' ' O ' ' A' ' 53' ' ' ASP . 17.1 tp -58.41 -43.83 88.79 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.104 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.505 HD23 ' O ' ' A' ' 53' ' ' ASP . 4.3 mm? -62.41 -54.45 40.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.917 177.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.57 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 69.3 mtt180 -60.52 -46.71 89.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.413 -175.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.639 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 33.3 t70 -60.37 -46.2 90.81 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.189 0.519 . . . . 0.0 110.548 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.0 m -67.12 -35.27 79.39 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.659 -176.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.536 ' O ' HG23 ' A' ' 65' ' ' VAL . 14.2 m-30 -70.3 -32.11 69.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.161 175.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 84.3 mm-40 -67.11 -39.31 86.68 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.639 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 73.0 mm-40 -65.55 -42.89 91.36 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.294 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.549 HG11 ' OG ' ' A' ' 92' ' ' SER . 11.6 p -70.97 -25.13 25.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.83 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 61' ' ' PHE . 74.4 t -72.71 -29.29 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.384 0.611 . . . . 0.0 109.631 173.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 63.4 mttm -76.89 -29.46 55.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.836 173.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.837 ' HB3' ' HB2' ' A' ' 70' ' ' GLN . 37.9 mt -74.78 -58.16 3.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.191 178.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 99.0 mttt 58.78 98.28 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.8 0.688 . . . . 0.0 111.635 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.71 -20.05 47.69 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.529 -0.844 . . . . 0.0 112.607 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.837 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 2.8 mp0 -87.86 134.14 33.76 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.5 t -76.84 116.02 19.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.2 tt -116.43 130.74 56.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.962 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.9 m -105.18 122.65 46.35 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.856 0.36 . . . . 0.0 111.299 -174.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.7 p -121.59 134.98 63.2 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.78 0 CA-C-O 121.588 0.709 . . . . 0.0 109.789 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 27.6 ttt -119.67 124.32 45.98 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.39 -173.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.476 ' CG ' HD21 ' A' ' 57' ' ' LEU . 10.4 p90 -151.29 179.94 7.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.064 -170.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.555 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 76.6 mtp180 -106.5 119.52 39.49 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.79 0.329 . . . . 0.0 110.523 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.619 ' CD1' HG11 ' A' ' 33' ' ' VAL . 20.4 t80 -96.71 144.11 27.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.037 -176.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 3.9 ttm180 -83.07 104.67 13.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.102 0.477 . . . . 0.0 110.502 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.567 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -65.25 173.22 2.63 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.001 174.722 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.539 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 18.3 tptm -73.17 -3.35 26.08 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.536 0.684 . . . . 0.0 110.916 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.488 ' OD1' ' HB2' ' A' ' 80' ' ' SER . 18.4 p30 -103.52 7.73 37.77 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.97 176.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 68.54 14.97 9.14 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 114.249 -1.342 . . . . 0.0 112.205 176.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 56.3 mm-40 -88.25 166.47 14.31 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 171.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.588 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 37.3 m95 -124.19 87.45 2.73 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -173.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.599 ' HA ' ' HB2' ' A' ' 116' ' ' SER . 0.9 OUTLIER -89.67 160.8 16.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.352 0.596 . . . . 0.0 111.921 -173.866 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -83.09 121.39 26.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.391 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 11.0 ptp -132.16 143.59 50.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.248 0.547 . . . . 0.0 110.715 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -99.35 110.11 22.65 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.839 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 109' ' ' THR . 49.0 m -101.69 125.54 48.37 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.838 0.351 . . . . 0.0 111.093 -177.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.557 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 14.6 p -94.87 130.82 41.31 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.549 ' OG ' HG11 ' A' ' 64' ' ' VAL . 8.6 t -104.88 155.94 18.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.498 0.666 . . . . 0.0 110.936 -176.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 45.1 t80 -159.7 134.57 7.94 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.332 -1.304 . . . . 0.0 108.601 177.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.69 ' HB ' HD12 ' A' ' 103' ' ' ILE . 75.5 p -96.74 110.56 23.0 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.551 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 33.4 t80 -72.6 102.83 3.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.151 0.501 . . . . 0.0 110.38 -175.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 97.9 mt-30 -84.65 133.29 34.41 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.016 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -60.8 113.44 7.69 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 164.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.484 ' HG2' ' CE1' ' A' ' 99' ' ' TYR . 29.0 Cg_endo -63.38 -0.39 2.3 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 122.732 2.288 . . . . 0.0 113.656 -172.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.484 ' CE1' ' HG2' ' A' ' 98' ' ' PRO . 57.6 m-85 -113.82 -26.33 8.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 -179.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.469 ' HB2' ' HG3' ' A' ' 102' ' ' GLU . 14.4 m -130.66 1.06 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -173.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 63.16 11.48 5.31 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.296 0.638 . . . . 0.0 112.652 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.469 ' HG3' ' HB2' ' A' ' 100' ' ' SER . 40.1 mt-10 -66.45 141.4 57.93 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.69 HD12 ' HB ' ' A' ' 94' ' ' THR . 40.7 mm -92.35 103.15 14.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -61.86 -42.48 99.11 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.706 0.765 . . . . 0.0 109.698 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -178.97 176.86 0.87 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.958 -1.474 . . . . 0.0 109.099 -175.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.406 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 56.1 mt -98.71 140.6 18.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 175.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 57.3 mt -114.65 107.0 21.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 91' ' ' SER . 89.2 m -112.81 135.29 53.72 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.207 0.527 . . . . 0.0 111.78 -175.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 90' ' ' THR . 52.8 m -99.65 130.64 45.89 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 170.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.576 ' O ' ' HA ' ' A' ' 11' ' ' GLU . 16.7 m120 -108.63 110.28 21.69 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -175.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.571 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 81.0 m -106.71 105.15 15.04 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.096 -176.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.495 ' HB2' HG23 ' A' ' 32' ' ' THR . 1.9 t-20 -74.54 116.27 15.03 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.425 ' HB ' ' H ' ' A' ' 114' ' ' LYS . 13.9 t -90.3 -93.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.255 -176.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.425 ' H ' ' HB ' ' A' ' 113' ' ' VAL . 18.4 ptpt -154.15 170.22 21.71 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 48.1 t30 75.63 146.24 0.09 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.497 1.123 . . . . 0.0 112.269 169.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.599 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 50.8 m 68.39 28.45 6.14 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.37 177.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.29 -62.96 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.152 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -114.06 -159.71 0.7 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.968 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 C--O 1.251 1.15 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.164 -178.639 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.36 145.66 34.16 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.064 -0.346 . . . . 0.0 110.064 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 54.3 ttm 72.32 -18.52 0.33 Allowed 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.589 0.556 . . . . 0.0 111.84 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.51 140.44 44.52 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 178.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.426 ' CG ' HG11 ' A' ' 30' ' ' VAL . 6.9 p30 175.05 146.71 0.07 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.938 177.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -179.23 132.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.063 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.3 t 55.02 69.82 0.69 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.151 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.715 ' HB3' ' HG2' ' A' ' 28' ' ' ARG . 18.4 mm-40 -118.14 149.55 45.87 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.869 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 33.5 Cg_exo -60.4 160.12 24.8 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.219 2.612 . . . . 0.0 112.588 174.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 p -86.09 17.6 3.5 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -173.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.885 ' HG2' ' HA ' ' A' ' 111' ' ' THR . 45.7 mt-10 -124.77 133.48 53.13 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 173.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -131.69 154.96 48.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.894 0.378 . . . . 0.0 110.512 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.4 mt -99.44 120.1 48.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.736 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.5 p -106.17 113.65 27.3 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 121.471 0.653 . . . . 0.0 110.305 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.567 ' HB3' ' HB3' ' A' ' 24' ' ' PHE . 38.0 ttt180 -97.01 103.91 15.88 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 178.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -135.91 156.73 48.32 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.361 0.601 . . . . 0.0 112.38 -168.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -85.26 160.05 19.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.269 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.477 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 48.3 pt -57.63 -15.69 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -167.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -83.45 -2.23 55.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.158 0.504 . . . . 0.0 110.236 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 44' ' ' ASN . . . 93.18 10.29 59.76 Favored Glycine 0 N--CA 1.442 -0.962 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -178.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.7 mm -82.63 117.72 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 O-C-N 123.528 0.193 . . . . 0.0 110.692 -174.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.415 ' CD2' ' HG ' ' A' ' 40' ' ' LEU . 97.1 m-85 -75.56 113.4 12.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.641 0.258 . . . . 0.0 110.463 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.1 p -97.65 -32.68 11.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.662 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.567 ' HB3' ' HB3' ' A' ' 15' ' ' ARG . 87.1 t80 -139.77 124.39 18.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.348 175.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.401 HG21 HD23 ' A' ' 40' ' ' LEU . 94.6 t -124.89 133.45 69.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.058 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -73.5 147.76 43.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.375 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.513 ' HA ' ' HG3' ' A' ' 37' ' ' PRO . 59.6 m80 -60.35 -17.5 43.72 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -173.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.715 ' HG2' ' HB3' ' A' ' 8' ' ' GLN . 67.5 mtm180 -68.15 -7.26 28.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.635 0.255 . . . . 0.0 111.502 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.6 p -57.5 -34.69 69.34 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.171 0.51 . . . . 0.0 111.313 176.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.704 HG12 ' HA ' ' A' ' 36' ' ' GLN . 4.7 m -66.58 -34.91 73.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.258 -178.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.04 -51.38 9.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.093 -176.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.457 HG23 ' HB2' ' A' ' 112' ' ' ASN . 24.5 m -53.78 -47.28 70.93 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 178.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.711 HG11 ' CD1' ' A' ' 78' ' ' PHE . 16.6 m -131.18 -34.01 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -173.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.2 -11.54 9.85 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 119.158 -1.496 . . . . 0.0 113.812 -177.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.503 ' H ' HG23 ' A' ' 33' ' ' VAL . 24.2 m-85 -82.47 137.27 34.71 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 117.444 0.622 . . . . 0.0 110.019 178.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.704 ' HA ' HG12 ' A' ' 30' ' ' VAL . 5.5 mm-40 -83.73 154.83 65.19 Favored Pre-proline 0 C--N 1.314 -0.952 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 177.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.634 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 84.7 Cg_exo -46.99 -51.41 9.34 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.687 2.258 . . . . 0.0 112.176 -174.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -64.79 -37.46 87.69 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.707 -176.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -68.01 -26.39 65.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.947 0.404 . . . . 0.0 110.654 -174.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.415 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 18.3 tp -86.18 -27.23 24.67 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.348 -178.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 68.2 mt -62.3 116.37 4.98 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.78 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.4 -6.68 36.42 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.596 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.724 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -103.09 156.09 17.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.77 0.319 . . . . 0.0 110.591 177.827 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.619 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 10.0 m120 -89.72 144.5 25.93 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 174.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.8 tt -62.82 -20.48 25.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.429 173.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.435 HG13 ' HG2' ' A' ' 54' ' ' GLN . 61.6 t -76.75 -29.28 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.667 179.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.619 ' HG2' ' HB2' ' A' ' 44' ' ' ASN . 17.0 mm-40 -62.79 -31.19 72.11 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.581 0.705 . . . . 0.0 110.093 176.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -109.21 21.3 17.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.778 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.541 ' SG ' HD12 ' A' ' 57' ' ' LEU . 35.0 t -99.21 131.79 44.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.971 176.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.522 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 19.1 t-80 -44.98 122.46 4.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.82 175.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.403 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 76.7 Cg_exo -51.87 -24.34 18.52 Favored 'Trans proline' 0 N--CA 1.477 0.505 0 C-N-CA 123.662 2.908 . . . . 0.0 114.258 -172.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -93.84 -5.08 48.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.927 0.394 . . . . 0.0 110.912 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -112.27 3.77 17.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -173.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.435 ' HG2' HG13 ' A' ' 46' ' ' VAL . 66.1 mt-30 -67.02 -43.17 83.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.787 -173.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -72.07 -29.93 64.63 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.3 tp -59.12 -47.94 83.41 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.766 175.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.541 HD12 ' SG ' ' A' ' 49' ' ' CYS . 12.7 mt -66.33 -47.96 71.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.846 174.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.475 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 68.1 ttt180 -53.4 -55.53 24.27 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.452 0.47 . . . . 0.0 110.954 -176.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.648 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 21.4 t70 -56.27 -46.72 79.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.326 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.3 m -69.2 -31.65 70.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.213 -174.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.493 ' O ' HG23 ' A' ' 65' ' ' VAL . 15.0 m-30 -70.89 -33.3 70.45 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 175.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 18.0 mm-40 -69.14 -39.64 78.72 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.7 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 83.5 mm-40 -58.78 -47.89 83.15 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.588 178.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.516 HG21 ' HB2' ' A' ' 92' ' ' SER . 9.1 p -71.33 -20.6 21.33 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.576 -177.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 61' ' ' PHE . 54.6 t -71.5 -26.2 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.83 0.824 . . . . 0.0 109.446 171.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -87.66 -55.92 3.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.156 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 3.9 pp -90.31 9.15 29.94 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -172.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.425 ' HE2' ' NE2' ' A' ' 96' ' ' GLN . 0.2 OUTLIER -42.52 140.45 1.25 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.849 173.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.17 -32.0 7.21 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 108.499 -1.84 . . . . 0.0 108.499 -166.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -105.5 139.87 39.46 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 169.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.4 t -76.58 123.8 33.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.956 0.408 . . . . 0.0 110.045 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.465 HD23 HD11 ' A' ' 67' ' ' LEU . 1.6 tm? -103.93 116.69 32.72 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -176.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.404 ' HB3' ' HD2' ' A' ' 89' ' ' ARG . 27.6 m -100.64 120.83 40.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.825 0.345 . . . . 0.0 110.186 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.7 p -121.84 137.26 56.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 121.547 0.689 . . . . 0.0 110.231 178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.7 ttt -109.46 132.81 53.79 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.943 -175.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.479 ' HE1' ' OG1' ' A' ' 90' ' ' THR . 14.6 p90 -160.16 178.21 9.89 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 123.407 0.442 . . . . 0.0 109.921 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.626 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 51.3 mtp180 -108.1 117.97 35.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.903 0.382 . . . . 0.0 110.547 -179.011 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.711 ' CD1' HG11 ' A' ' 33' ' ' VAL . 13.0 t80 -94.82 147.79 22.98 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.843 -175.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -83.05 105.66 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.202 0.525 . . . . 0.0 111.322 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.435 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 34.3 t -58.46 161.21 4.65 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.529 168.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -65.21 -10.95 35.86 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.262 0.553 . . . . 0.0 110.677 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.411 ' HB2' ' OE1' ' A' ' 84' ' ' GLU . 14.1 m-80 -97.74 7.79 45.8 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 65.94 32.64 8.39 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.411 ' OE1' ' HB2' ' A' ' 82' ' ' ASN . 36.5 mt-10 -99.18 156.28 17.04 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.087 -0.96 . . . . 0.0 108.891 173.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -119.63 94.52 4.43 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 121.157 0.503 . . . . 0.0 110.153 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.626 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.7 pp -100.37 168.61 9.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.376 -174.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.429 ' HB3' HG23 ' A' ' 113' ' ' VAL . 71.6 m95 -89.56 130.67 35.84 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.608 -176.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.521 ' HA ' HG22 ' A' ' 113' ' ' VAL . 10.3 ptp -140.66 139.39 34.8 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.019 0.438 . . . . 0.0 110.873 169.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HD2' ' HB3' ' A' ' 73' ' ' SER . 10.1 ttp180 -95.64 115.06 26.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.177 175.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.479 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 58.8 m -96.44 125.08 40.68 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.918 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.543 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 19.2 m -97.09 122.09 39.71 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 176.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.516 ' HB2' HG21 ' A' ' 64' ' ' VAL . 2.5 m -111.84 144.5 41.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.317 0.579 . . . . 0.0 112.115 -172.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.485 ' CE1' ' HA ' ' A' ' 95' ' ' PHE . 16.7 t80 -145.73 134.65 22.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.56 168.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.462 ' HB ' HD13 ' A' ' 103' ' ' ILE . 21.7 p -98.87 121.37 40.74 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.485 ' HA ' ' CE1' ' A' ' 93' ' ' PHE . 4.2 t80 -76.9 104.12 7.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.169 0.509 . . . . 0.0 110.213 -174.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.425 ' NE2' ' HE2' ' A' ' 68' ' ' LYS . 19.1 mt-30 -88.66 130.15 35.36 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.398 175.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -74.26 117.81 64.68 Favored Pre-proline 0 C--N 1.32 -0.71 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 173.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.75 -6.51 15.74 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 122.528 2.152 . . . . 0.0 114.204 -167.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -118.0 29.7 7.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.998 0.428 . . . . 0.0 111.101 -178.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.5 t -168.64 -20.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.463 176.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 63.88 20.18 12.09 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.444 0.698 . . . . 0.0 112.05 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -91.71 156.68 17.4 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 174.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.462 HD13 ' HB ' ' A' ' 94' ' ' THR . 77.9 mt -99.89 121.06 50.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.696 0.76 . . . . 0.0 111.025 -177.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 8.4 mt-10 -73.34 -53.13 11.52 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.042 -1.435 . . . . 0.0 109.576 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -167.69 -176.39 3.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.194 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 45.3 mt -113.77 143.4 23.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.692 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.0 mt -120.32 106.79 19.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 91' ' ' SER . 98.3 m -118.47 136.84 53.56 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -174.109 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 32.5 m -98.59 137.47 37.18 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 170.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -113.23 110.65 20.73 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.885 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 80.9 m -103.99 116.29 31.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.92 -176.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.457 ' HB2' HG23 ' A' ' 32' ' ' THR . 3.1 t-20 -74.99 109.59 8.58 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.39 -0.966 . . . . 0.0 108.39 176.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -93.35 -127.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.866 -172.417 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.487 ' H ' ' HB ' ' A' ' 113' ' ' VAL . 21.7 mtpp -55.88 -31.64 62.98 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 122.573 0.349 . . . . 0.0 111.709 -175.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 64.0 t30 71.49 96.39 0.07 Allowed 'General case' 0 CA--C 1.533 0.303 0 O-C-N 123.427 0.454 . . . . 0.0 111.292 168.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.79 -35.48 79.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.909 -175.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.1 t -134.07 175.22 9.68 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -176.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.471 ' HA ' ' OE1' ' A' ' 118' ' ' GLN . 13.2 mm-40 64.77 32.03 11.34 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.345 0.593 . . . . 0.0 110.528 -174.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.249 -0.881 . . . . 0.0 108.967 176.873 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.47 152.01 25.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 176.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.25 -73.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -174.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -103.0 98.74 8.65 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.733 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . 0.8 OUTLIER -148.56 68.02 1.07 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.06 -175.313 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.2 m -98.75 -172.92 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.85 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.8 m 62.29 47.09 5.59 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.642 0.734 . . . . 0.0 110.886 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.667 ' HB3' ' HG2' ' A' ' 28' ' ' ARG . 31.1 mm-40 -116.45 149.41 43.67 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.049 -178.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.531 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 32.6 Cg_exo -60.71 158.33 33.34 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.891 2.394 . . . . 0.0 111.672 174.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.15 23.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.127 0.489 . . . . 0.0 111.904 -176.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.627 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 2.5 tm-20 -128.26 133.42 48.79 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 174.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -138.95 139.15 37.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.175 0.512 . . . . 0.0 110.841 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.0 tt -96.92 144.4 10.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.375 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.7 t -145.17 143.22 30.21 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.27 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 15' ' ' ARG . 48.6 mtm105 -108.14 131.21 54.88 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 174.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.652 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 1.4 p-80 -138.59 157.89 45.29 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 119.781 -0.768 . . . . 0.0 112.007 -176.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.94 148.18 52.28 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.998 -1.001 . . . . 0.0 108.619 175.396 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.403 HG13 ' HG3' ' A' ' 19' ' ' GLU . 33.5 pt -51.83 -26.21 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 O-C-N 124.306 1.004 . . . . 0.0 113.708 -168.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.403 ' HG3' HG13 ' A' ' 18' ' ' ILE . 14.2 mt-10 -78.68 -8.11 58.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.458 -178.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.16 15.98 18.02 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.656 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.4 mm -91.45 118.36 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.919 0.359 . . . . 0.0 110.427 -175.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' A' ' 40' ' ' LEU . 72.1 m-85 -62.09 130.6 46.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.021 0.439 . . . . 0.0 111.688 -177.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 m -114.08 -40.36 3.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.279 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -147.72 133.77 19.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.429 ' CG1' ' HB2' ' A' ' 29' ' ' CYS . 98.1 t -129.36 136.79 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.162 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -75.91 149.27 37.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.314 0.578 . . . . 0.0 110.268 174.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.733 ' HB3' ' HB2' ' A' ' 5' ' ' ASN . 67.1 m80 -57.99 -17.81 19.76 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.126 -0.943 . . . . 0.0 112.91 -175.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.667 ' HG2' ' HB3' ' A' ' 8' ' ' GLN . 98.5 mtt180 -61.25 -14.78 28.6 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.099 0.249 . . . . 0.0 111.359 176.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.429 ' HB2' ' CG1' ' A' ' 25' ' ' VAL . 43.3 t -50.05 -43.82 51.27 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.393 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.5 m -65.79 -27.86 42.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 111.042 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.68 -52.11 9.51 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.524 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 m -63.47 -52.1 62.79 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.542 ' O ' ' HA ' ' A' ' 80' ' ' SER . 28.0 m -127.68 10.11 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -168.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.05 -28.97 1.89 Allowed Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.292 -0.956 . . . . 0.0 113.824 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.402 ' HE2' ' HB3' ' A' ' 48' ' ' PHE . 12.6 m-85 -71.17 142.31 50.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.234 0.54 . . . . 0.0 111.355 -176.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.501 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 36.7 mm-40 -83.86 146.63 49.62 Favored Pre-proline 0 C--N 1.315 -0.933 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.565 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 82.6 Cg_exo -45.66 -42.72 18.97 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 122.202 1.935 . . . . 0.0 112.093 -179.092 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -56.43 -40.91 75.55 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.7 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.501 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 34.8 mm-40 -62.98 -27.22 69.26 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.223 0.535 . . . . 0.0 111.125 -171.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.589 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 89.0 mt -89.17 -31.16 18.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.656 -175.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 53.7 mt -61.81 112.51 2.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.821 -172.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.91 -8.85 33.97 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.227 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.427 ' HD3' ' HZ ' ' A' ' 48' ' ' PHE . 22.8 mtpp -118.12 165.34 13.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.763 0.316 . . . . 0.0 110.603 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.591 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 5.3 t-20 -87.65 144.06 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.05 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.595 HG12 ' SG ' ' A' ' 49' ' ' CYS . 12.2 tt -57.62 -38.6 65.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.439 174.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.1 -30.09 45.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.356 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.591 ' HG3' ' HB3' ' A' ' 44' ' ' ASN . 39.5 mt-10 -65.02 -19.6 66.08 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.124 0.487 . . . . 0.0 110.499 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.446 ' HD1' HH21 ' A' ' 79' ' ' ARG . 65.5 m-85 -116.0 14.83 16.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.254 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.595 ' SG ' HG12 ' A' ' 45' ' ' ILE . 88.9 m -100.4 148.06 25.14 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.384 178.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.58 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 40.8 t-80 -49.28 128.46 16.75 Favored Pre-proline 0 N--CA 1.465 0.302 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.16 175.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 50' ' ' HIS . 74.6 Cg_exo -51.91 -34.46 56.02 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 124.065 3.177 . . . . 0.0 114.17 -174.055 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -84.2 -7.07 59.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.956 0.408 . . . . 0.0 110.871 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -111.39 -8.89 14.28 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -173.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 50' ' ' HIS . 97.9 mt-30 -66.24 -34.11 77.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.741 -175.047 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.483 ' O ' ' HB3' ' A' ' 58' ' ' ARG . 10.3 tm0? -77.2 -37.23 53.92 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.0 tp -59.6 -47.96 83.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.305 177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.559 HD11 ' CD2' ' A' ' 76' ' ' PHE . 62.3 mt -62.84 -34.43 77.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.211 177.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.654 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 49.8 ttt180 -55.84 -54.95 38.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.671 175.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.556 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 19.0 t70 -68.63 -39.92 80.56 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.497 0.184 . . . . 0.0 111.497 -176.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.49 ' OG ' ' HA ' ' A' ' 57' ' ' LEU . 6.1 p -67.79 -44.21 77.91 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.318 0.58 . . . . 0.0 111.289 -175.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.524 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.2 m-85 -59.33 -36.18 75.21 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.822 175.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.654 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 87.3 mm-40 -67.85 -35.46 78.6 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.59 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.577 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 40.0 mm-40 -57.31 -51.84 67.74 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.147 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.532 HG11 ' HB3' ' A' ' 92' ' ' SER . 12.2 p -66.04 -31.08 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.037 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.538 ' HA ' HG21 ' A' ' 94' ' ' THR . 78.1 t -68.71 -34.99 67.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.219 0.533 . . . . 0.0 110.195 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 16.3 ptpt -88.05 -17.72 30.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.112 177.282 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 75.4 mt -76.05 -52.75 9.52 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 173.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 98.0 mttt 62.54 97.98 0.03 OUTLIER 'General case' 0 C--O 1.235 0.339 0 O-C-N 123.844 0.715 . . . . 0.0 112.601 175.005 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.88 -18.05 50.96 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.473 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -90.96 129.75 36.95 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.8 p -76.83 121.44 29.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.585 ' HB3' ' HB2' ' A' ' 92' ' ' SER . 15.4 tp -106.12 144.28 33.06 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.374 -174.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.406 ' HB3' ' HD3' ' A' ' 89' ' ' ARG . 25.2 m -111.4 121.32 44.91 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.891 0.377 . . . . 0.0 111.044 175.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.9 p -129.54 132.94 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.59 0 CA-C-O 121.611 0.72 . . . . 0.0 109.673 173.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.9 ttt -109.55 124.0 50.37 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.924 -175.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.559 ' CD2' HD11 ' A' ' 57' ' ' LEU . 18.8 p90 -146.46 178.11 8.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.031 -175.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.638 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 38.9 mtm180 -108.13 114.36 28.2 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 176.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.511 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 4.9 t80 -83.98 147.31 27.52 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.728 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 54.0 ttp180 -88.93 105.59 17.87 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.097 178.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.639 ' HB3' ' HB2' ' A' ' 84' ' ' GLU . 30.1 t -58.17 167.29 1.33 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.203 173.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -67.3 -9.52 41.71 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.603 -176.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -103.83 13.46 32.87 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.41 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 1.7 mp0 66.08 38.12 4.92 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 114.154 -1.385 . . . . 0.0 110.597 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.728 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 20.0 mt-10 -94.25 158.5 15.56 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.638 -1.164 . . . . 0.0 109.601 177.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.509 ' CZ3' ' HA ' ' A' ' 50' ' ' HIS . 31.0 m95 -117.6 83.26 1.96 Allowed 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 120.763 0.316 . . . . 0.0 110.387 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.712 HD13 ' HE1' ' A' ' 88' ' ' MET . 0.3 OUTLIER -92.82 166.01 12.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.08 -178.244 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.809 ' HB2' ' HB2' ' A' ' 114' ' ' LYS . 92.9 m95 -101.01 122.46 43.57 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -170.183 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.712 ' HE1' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -136.19 147.98 47.91 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.159 0.504 . . . . 0.0 110.57 172.901 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.406 ' HD3' ' HB3' ' A' ' 73' ' ' SER . 37.1 ttm180 -106.85 117.27 33.62 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.08 174.366 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.511 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 86.9 m -94.67 133.53 38.23 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.315 -176.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.4 m -88.34 114.82 25.35 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.478 -0.783 . . . . 0.0 108.998 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.585 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 5.1 m -93.77 120.41 34.0 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.324 -176.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -129.83 135.06 47.97 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.536 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.538 HG21 ' HA ' ' A' ' 65' ' ' VAL . 20.8 p -100.0 108.82 21.11 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 176.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.527 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 2.6 t80 -81.02 117.3 21.51 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 1.006 ' HG2' HG12 ' A' ' 103' ' ' ILE . 16.0 mt-30 -124.45 142.39 51.35 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.484 -172.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -72.65 110.63 8.67 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 174.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.464 ' HG2' ' CE1' ' A' ' 99' ' ' TYR . 18.5 Cg_endo -59.36 -18.98 48.63 Favored 'Trans proline' 0 N--CA 1.471 0.19 0 C-N-CA 122.985 2.457 . . . . 0.0 113.21 -173.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.464 ' CE1' ' HG2' ' A' ' 98' ' ' PRO . 55.5 m-85 -97.55 3.87 50.47 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.19 -176.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.8 t -143.72 -17.35 0.61 Allowed 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -178.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 74.19 -13.96 0.73 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.93 0.892 . . . . 0.0 112.451 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -69.04 146.43 52.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.88 0.371 . . . . 0.0 110.825 -176.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 1.006 HG12 ' HG2' ' A' ' 96' ' ' GLN . 60.7 mt -94.64 112.97 28.18 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.594 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.928 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 4.8 pt-20 -69.67 -41.32 75.65 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.503 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.483 ' HB2' ' O ' ' A' ' 16' ' ' HIS . 24.3 p90 -173.91 173.68 3.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.951 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.652 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 65.7 mt -100.97 144.52 12.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.587 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 63.3 mt -113.44 115.52 49.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.6 p -113.4 112.43 23.63 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.274 0.559 . . . . 0.0 111.622 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.3 m -90.24 136.21 33.19 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 171.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.437 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 33.7 m-80 -126.49 110.75 13.63 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.914 -171.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.1 m -108.19 127.12 53.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.306 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -81.52 116.57 21.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.959 0.409 . . . . 0.0 110.106 -177.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.459 HG12 ' HG3' ' A' ' 114' ' ' LYS . 24.1 t -95.05 -53.03 8.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.756 0.789 . . . . 0.0 110.311 -178.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.809 ' HB2' ' HB2' ' A' ' 87' ' ' TRP . 29.4 mtpp -135.55 168.99 18.23 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.647 -1.16 . . . . 0.0 109.307 -175.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -114.94 11.48 16.58 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.263 0.554 . . . . 0.0 109.648 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.5 t 73.86 136.81 0.05 Allowed 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.746 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.2 p -75.82 63.13 1.63 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.691 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -61.9 -45.56 93.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.478 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.236 -179.798 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.066 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.461 ' O ' ' HD2' ' A' ' 37' ' ' PRO . . . 68.63 -70.36 0.13 Allowed 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -172.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.6 ttt -81.62 137.27 35.5 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 164.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.3 t70 63.55 98.53 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.661 0.6 . . . . 0.0 111.699 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.5 ' HB2' HG21 ' A' ' 30' ' ' VAL . 5.3 m120 -137.84 149.47 46.34 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.102 -1.074 . . . . 0.0 108.102 177.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.74 126.68 69.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -174.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.0 m 64.41 81.25 0.21 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.211 -0.904 . . . . 0.0 113.138 171.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.584 ' HB3' ' HG2' ' A' ' 28' ' ' ARG . 22.0 mp0 -118.26 158.29 46.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.667 174.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.59 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 31.7 Cg_exo -61.23 155.71 49.84 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.973 2.448 . . . . 0.0 111.796 168.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.421 HG22 ' HA ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -85.68 33.0 0.57 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.193 0.521 . . . . 0.0 112.018 -174.57 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.47 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 9.1 pt-20 -142.88 135.66 27.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.746 173.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -130.49 153.43 48.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.144 0.497 . . . . 0.0 110.897 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.9 mt -102.78 128.7 55.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.483 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.0 t -127.2 140.67 52.08 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.26 0.553 . . . . 0.0 111.049 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.433 ' HG2' HG12 ' A' ' 107' ' ' ILE . 77.8 mtt180 -110.6 121.65 45.85 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 173.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -139.32 153.58 47.76 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.095 0.474 . . . . 0.0 111.294 -172.832 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.44 147.09 52.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.836 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.487 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 44.0 pt -50.08 -25.29 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 124.452 1.095 . . . . 0.0 113.588 -169.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -75.69 -9.51 58.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.215 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.41 9.41 33.6 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.254 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 46.1 mm -88.26 122.08 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -175.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CD2' ' HG ' ' A' ' 40' ' ' LEU . 93.6 m-85 -69.22 126.14 28.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.998 0.427 . . . . 0.0 111.346 -176.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.2 m -109.72 -39.26 5.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.493 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -141.68 132.56 25.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.466 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.423 ' CG1' ' HB2' ' A' ' 29' ' ' CYS . 97.6 t -130.59 137.9 55.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.709 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -75.87 149.22 37.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.071 0.462 . . . . 0.0 110.662 175.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -59.11 -16.03 17.29 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -173.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.59 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 84.3 mtm180 -68.43 0.02 4.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.074 0.464 . . . . 0.0 111.263 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 35' ' ' TYR . 32.2 t -58.36 -38.33 77.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.139 176.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.5 HG21 ' HB2' ' A' ' 5' ' ' ASN . 27.2 m -69.32 -31.34 49.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.137 0.494 . . . . 0.0 111.431 -177.22 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.528 ' HB2' ' HB2' ' A' ' 8' ' ' GLN . . . -77.63 -52.23 9.34 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.487 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.421 ' HA ' HG22 ' A' ' 10' ' ' THR . 2.8 m -60.25 -54.76 41.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.721 178.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.523 HG11 ' CD1' ' A' ' 78' ' ' PHE . 35.3 m -132.09 10.79 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -170.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.67 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 77.98 -18.61 4.92 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 120.58 -0.819 . . . . 0.0 114.351 173.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.439 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 23.1 m-85 -75.25 148.11 39.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.507 0.653 . . . . 0.0 111.182 -178.249 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.605 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -85.33 137.63 36.8 Favored Pre-proline 0 C--N 1.315 -0.916 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 169.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.664 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 86.4 Cg_exo -41.14 -50.92 4.12 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.636 2.224 . . . . 0.0 112.453 -177.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -56.91 -42.9 80.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.745 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.605 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 38.4 mm-40 -61.8 -33.12 73.54 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.439 0.638 . . . . 0.0 110.493 -176.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.471 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 18.8 tp -81.47 -28.46 34.11 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.105 -177.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 57.2 mt -60.85 117.51 5.51 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.461 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.64 -28.35 7.13 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.869 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.807 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 10.5 mmpt? -91.03 155.14 18.91 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.972 0.415 . . . . 0.0 110.236 178.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.531 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 10.0 t-20 -87.1 144.05 27.04 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 170.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.427 HG13 ' HE2' ' A' ' 78' ' ' PHE . 15.2 tt -58.32 -25.04 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.033 175.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.3 p -72.41 -23.58 21.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.721 0.296 . . . . 0.0 110.607 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.531 ' HG3' ' HB3' ' A' ' 44' ' ' ASN . 46.4 mt-10 -72.81 -19.32 61.36 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.109 0.481 . . . . 0.0 110.486 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -118.48 17.4 13.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.248 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.403 ' SG ' HD22 ' A' ' 57' ' ' LEU . 41.8 t -98.64 132.03 44.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.057 173.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.599 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 54.9 t60 -46.86 123.4 7.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.116 174.329 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.457 ' HA ' ' CD ' ' A' ' 54' ' ' GLN . 6.9 Cg_endo -49.79 -23.23 8.15 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 124.202 3.268 . . . . 0.0 114.758 -172.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -87.55 -6.13 58.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.261 -0.275 . . . . 0.0 111.413 -178.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.567 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 45.6 m-20 -110.52 -17.87 13.33 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 120.728 0.299 . . . . 0.0 110.41 -178.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.457 ' CD ' ' HA ' ' A' ' 51' ' ' PRO . 81.2 mt-30 -53.67 -29.28 37.9 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.259 0.624 . . . . 0.0 111.953 -178.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -74.08 -48.8 27.27 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.746 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 53' ' ' ASP . 4.6 pp -66.53 -29.85 70.03 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.923 0.868 . . . . 0.0 108.991 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.533 ' N ' HD12 ' A' ' 56' ' ' LEU . 20.6 tp -64.22 -52.12 60.37 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.854 174.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 54' ' ' GLN . 98.4 mtt180 -55.59 -48.1 75.39 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.269 0.556 . . . . 0.0 110.203 175.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.628 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 23.1 t70 -61.04 -41.56 96.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.423 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.4 p -65.13 -41.53 94.73 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.38 0.609 . . . . 0.0 110.801 -175.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.519 ' O ' HG23 ' A' ' 65' ' ' VAL . 4.1 m-85 -60.31 -37.92 82.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.909 176.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 30.9 mm-40 -68.57 -37.07 79.57 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.664 178.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.628 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 31.0 mm-40 -62.1 -48.33 80.65 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.495 HG11 ' OG ' ' A' ' 92' ' ' SER . 10.6 p -70.75 -24.34 24.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.589 -176.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 61' ' ' PHE . 70.8 t -70.63 -27.99 32.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.469 0.652 . . . . 0.0 109.429 174.21 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -83.86 -31.77 25.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.447 174.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.609 HD12 HD23 ' A' ' 72' ' ' LEU . 54.0 mt -90.72 29.38 1.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.108 -177.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.468 ' HD3' ' OE1' ' A' ' 96' ' ' GLN . 95.2 mttt -36.47 101.7 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.2 -27.52 6.08 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.758 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -97.11 142.41 29.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.796 0.331 . . . . 0.0 110.572 -178.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.5 t -77.77 120.37 28.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.947 177.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.609 HD23 HD12 ' A' ' 67' ' ' LEU . 1.3 tm? -113.78 115.52 27.91 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -177.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.1 p -100.35 126.76 46.75 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.296 0.569 . . . . 0.0 111.654 -175.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.2 p -115.57 130.06 70.83 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 CA-C-O 121.872 0.844 . . . . 0.0 110.338 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.8 ttt -105.43 126.99 52.74 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 114.413 -1.267 . . . . 0.0 109.362 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -159.48 178.57 9.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.931 -174.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.599 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 41.1 mtt180 -102.16 115.07 29.77 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.523 ' CD1' HG11 ' A' ' 33' ' ' VAL . 15.9 t80 -99.1 140.28 33.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.686 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 15.1 ttp180 -81.43 118.95 23.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.062 0.458 . . . . 0.0 111.688 -178.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.495 ' HB2' HD21 ' A' ' 86' ' ' LEU . 32.1 t -78.33 177.29 8.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.529 173.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.67 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 19.6 tptm -69.53 -7.21 36.34 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 111.023 -177.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -103.48 11.79 35.97 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.576 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 66.43 25.2 10.29 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 114.552 -1.204 . . . . 0.0 112.035 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.686 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 23.1 mm-40 -101.6 167.66 9.98 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.321 175.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.563 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 68.6 m95 -120.05 93.97 4.23 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.162 -173.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.55 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -93.48 155.18 17.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.308 0.575 . . . . 0.0 111.846 -175.03 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.431 ' HB2' ' HB2' ' A' ' 114' ' ' LYS . 97.2 m95 -80.26 97.62 7.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.673 -177.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.496 ' CE ' ' HB3' ' A' ' 110' ' ' ASN . 0.5 OUTLIER -112.06 132.19 54.97 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.525 177.899 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -100.84 111.61 23.86 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.425 ' CG2' ' HB2' ' A' ' 108' ' ' CYS . 85.4 m -95.97 122.18 38.51 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.664 -177.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 34.1 m -95.57 120.13 35.27 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.006 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.495 ' OG ' HG11 ' A' ' 64' ' ' VAL . 11.3 t -101.29 153.85 19.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.47 0.652 . . . . 0.0 111.231 -173.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.57 ' HE2' ' HD1' ' A' ' 95' ' ' PHE . 55.5 t80 -156.09 133.3 10.69 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.164 -1.38 . . . . 0.0 108.648 173.072 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.481 HG21 ' HA ' ' A' ' 65' ' ' VAL . 42.7 p -87.47 103.33 15.42 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.57 ' HD1' ' HE2' ' A' ' 93' ' ' PHE . 16.8 t80 -73.08 110.16 7.16 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.595 0.712 . . . . 0.0 109.576 -176.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.621 ' HG2' HG12 ' A' ' 103' ' ' ILE . 24.7 mt-30 -110.76 147.55 34.19 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.009 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -68.05 114.54 21.36 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 174.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -56.79 -17.81 24.71 Favored 'Trans proline' 0 N--CA 1.472 0.223 0 C-N-CA 123.179 2.586 . . . . 0.0 113.027 -175.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -101.83 -2.42 30.04 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.28 -176.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.1 m -131.94 -21.14 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -176.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.4 t70 67.48 14.32 9.57 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.368 0.604 . . . . 0.0 111.345 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -105.04 152.28 22.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.826 -0.546 . . . . 0.0 110.267 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.621 HG12 ' HG2' ' A' ' 96' ' ' GLN . 69.1 mt -88.72 131.79 35.24 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.46 0 CA-C-O 120.9 0.381 . . . . 0.0 110.553 -175.252 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 4.0 pt-20 -94.72 -39.9 10.06 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.018 173.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -174.13 175.87 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.972 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.487 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 67.5 mt -98.62 144.29 11.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.433 HG12 ' HG2' ' A' ' 15' ' ' ARG . 46.7 mt -117.41 115.21 47.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 175.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 91' ' ' SER . 22.3 p -117.95 135.12 54.33 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.398 0.618 . . . . 0.0 111.308 -174.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 26.4 m -94.09 121.53 35.67 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.736 171.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.496 ' HB3' ' CE ' ' A' ' 88' ' ' MET . 29.1 m-80 -108.46 109.32 20.56 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 -175.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.4 m -117.7 130.31 56.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.93 0.395 . . . . 0.0 111.238 -173.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -83.26 112.9 20.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.096 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.465 ' HB ' ' H ' ' A' ' 114' ' ' LYS . 12.6 t -94.42 -84.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.528 0.68 . . . . 0.0 109.265 177.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.465 ' H ' ' HB ' ' A' ' 113' ' ' VAL . 48.5 mtpt -98.12 167.39 10.91 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.988 172.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.454 ' HA ' ' CB ' ' A' ' 86' ' ' LEU . 3.1 p-10 -115.86 8.27 14.72 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.687 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.5 t 68.42 -76.19 0.06 Allowed 'General case' 0 C--N 1.332 -0.156 0 O-C-N 124.048 0.842 . . . . 0.0 111.109 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.9 p -159.14 178.79 9.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.619 0.247 . . . . 0.0 111.047 -174.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -132.02 77.94 1.79 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.363 -173.937 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.693 ' HB3' ' HG2' ' A' ' 38' ' ' GLN . . . -134.23 92.34 2.92 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.91 0.386 . . . . 0.0 110.482 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -171.89 -66.24 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.489 -175.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -92.2 112.63 24.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.561 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -164.47 150.74 10.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.8 p -171.39 150.24 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -178.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.1 t 70.07 65.24 0.22 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.638 0.732 . . . . 0.0 109.832 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.404 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 14.3 mm-40 -118.61 151.02 49.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.726 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.867 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 48.9 Cg_exo -57.34 164.23 7.21 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.817 2.345 . . . . 0.0 112.348 175.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.74 17.71 18.69 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.051 0.453 . . . . 0.0 111.811 -171.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 0.5 OUTLIER -133.73 135.74 44.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 169.595 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -127.91 151.35 49.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.075 0.464 . . . . 0.0 111.253 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.3 mt -98.4 120.82 48.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.885 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.8 p -118.02 125.0 49.51 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.061 0.458 . . . . 0.0 110.368 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -105.94 124.18 49.16 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 176.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.528 ' HB3' ' HA ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -145.16 158.2 43.88 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -170.032 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.632 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -59.19 144.81 44.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 113.861 -1.518 . . . . 0.0 109.387 176.288 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.8 pt -53.23 -24.43 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -170.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -78.03 -12.32 59.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.688 0.28 . . . . 0.0 110.902 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.81 4.05 21.51 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.66 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.632 ' HB ' ' HB3' ' A' ' 17' ' ' ASN . 41.4 mm -82.09 111.43 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 116.776 0.288 . . . . 0.0 110.904 -172.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.528 ' HA ' ' HB3' ' A' ' 16' ' ' HIS . 96.5 m-85 -63.96 118.63 8.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.867 0.365 . . . . 0.0 111.759 -177.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 p -108.63 -30.22 8.33 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.292 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -139.3 122.65 17.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.384 176.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.9 t -129.3 136.44 59.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.673 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -84.49 149.5 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.31 0.576 . . . . 0.0 110.9 176.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -54.8 -20.95 9.69 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.88 -173.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.867 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 80.1 mtm180 -63.28 -8.41 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 111.816 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.1 p -63.19 -33.17 74.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.625 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.76 HG12 ' HA ' ' A' ' 36' ' ' GLN . 3.9 m -66.25 -32.16 56.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.945 0.402 . . . . 0.0 110.957 -174.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' A' ' 8' ' ' GLN . . . -80.31 -52.82 7.25 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.69 178.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -54.95 -55.34 31.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.664 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.2 m -127.69 11.38 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -169.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 81' ' ' LYS . . . 75.29 -28.96 1.18 Allowed Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.8 -0.714 . . . . 0.0 114.051 175.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -70.18 139.07 52.28 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 120.979 0.418 . . . . 0.0 110.114 -177.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.76 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -83.55 153.43 64.99 Favored Pre-proline 0 C--N 1.316 -0.878 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 173.615 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.729 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 81.7 Cg_exo -45.67 -50.48 9.4 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 122.71 2.273 . . . . 0.0 112.809 -174.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.693 ' HG2' ' HB3' ' A' ' 2' ' ' ALA . 15.8 mm100 -60.07 -40.82 90.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.098 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -62.0 -30.46 70.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.261 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 14.5 tp -88.62 -26.49 21.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.407 -178.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.729 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 66.6 mt -64.0 115.6 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.947 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.31 -12.61 28.49 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.111 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.55 ' HE2' ' CZ ' ' A' ' 48' ' ' PHE . 29.5 mmmt -99.74 155.29 17.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.778 0.323 . . . . 0.0 110.679 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.633 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 29.1 t-20 -90.66 140.69 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 171.462 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.468 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 14.0 tt -59.4 -25.16 30.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.793 176.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.1 t -73.18 -27.66 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.055 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.633 ' HG3' ' HB3' ' A' ' 44' ' ' ASN . 37.7 mt-10 -61.47 -39.83 92.31 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.991 0.424 . . . . 0.0 110.542 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.55 ' CZ ' ' HE2' ' A' ' 43' ' ' LYS . 37.0 m-85 -102.13 17.05 24.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.082 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.452 ' SG ' HD12 ' A' ' 57' ' ' LEU . 44.2 t -90.5 132.95 35.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.233 172.211 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.618 ' HB3' ' CB ' ' A' ' 53' ' ' ASP . 26.0 t-80 -46.59 134.48 7.88 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.653 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -48.57 -53.08 7.39 Favored 'Trans proline' 0 N--CA 1.478 0.582 0 C-N-CA 122.817 2.345 . . . . 0.0 113.954 -172.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.408 ' HG2' ' ND1' ' A' ' 50' ' ' HIS . 7.7 pt-20 -70.16 -5.92 30.58 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.029 0.442 . . . . 0.0 111.611 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.654 ' OD2' ' HB2' ' A' ' 76' ' ' PHE . 29.8 t70 -110.36 -7.04 14.84 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.726 0.774 . . . . 0.0 109.546 -164.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -70.7 -37.0 73.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.961 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -37.04 85.71 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tt -60.09 -52.95 63.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.408 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 57' ' ' LEU . 10.8 mt -59.19 -44.59 92.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.721 176.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.608 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 24.0 ttt180 -53.19 -56.74 14.03 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.48 0.487 . . . . 0.0 110.964 -177.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.643 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 30.6 t70 -62.34 -44.32 96.76 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.051 0.453 . . . . 0.0 110.943 -177.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.8 m -65.88 -33.4 75.76 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.165 -175.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.495 ' O ' HG23 ' A' ' 65' ' ' VAL . 12.4 m-85 -69.29 -39.12 78.52 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 174.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.608 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 87.1 mm-40 -62.71 -39.58 94.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.444 177.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.643 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 82.9 mm-40 -57.35 -50.07 74.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.517 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.506 HG11 ' OG ' ' A' ' 92' ' ' SER . 10.7 p -72.58 -22.71 20.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 120.961 0.41 . . . . 0.0 110.877 -177.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.563 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 64.9 t -71.17 -34.56 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 173.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 29.5 mtpp -72.25 -36.68 69.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.948 173.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.817 HD11 HD13 ' A' ' 72' ' ' LEU . 50.5 mt -61.53 -58.76 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.32 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.581 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 96.3 mttt 55.51 93.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 O-C-N 124.02 0.825 . . . . 0.0 111.851 -177.233 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.99 -14.0 34.19 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.982 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.475 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 14.6 mm100 -104.52 137.45 42.37 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.911 0.355 . . . . 0.0 110.802 -178.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 92' ' ' SER . 68.2 t -77.81 126.5 38.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.074 177.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.817 HD13 HD11 ' A' ' 67' ' ' LEU . 13.7 tp -117.76 137.51 52.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.51 -176.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.9 p -99.77 121.52 41.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.874 0.369 . . . . 0.0 110.991 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.8 p -125.7 131.8 71.56 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 CA-C-O 121.753 0.787 . . . . 0.0 109.97 174.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 24.3 ttt -111.64 121.75 45.97 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 114.569 -1.196 . . . . 0.0 109.757 -174.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.654 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . 28.9 p90 -151.8 178.73 9.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.228 -170.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.507 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 40.9 mtm180 -111.33 114.92 28.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.943 0.401 . . . . 0.0 110.92 -176.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -96.81 137.26 36.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.655 -177.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.595 ' NH2' ' HG3' ' A' ' 83' ' ' GLN . 32.2 ttt180 -82.59 104.36 12.8 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.054 0.454 . . . . 0.0 110.618 176.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.5 t -64.5 174.72 1.61 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.331 175.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.444 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . 25.9 tptp -68.92 -5.89 24.08 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.842 0.857 . . . . 0.0 110.989 -177.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -98.5 8.05 45.38 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.595 ' HG3' ' NH2' ' A' ' 79' ' ' ARG . 2.5 mp0 65.27 29.57 11.61 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.404 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.567 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 13.7 pt-20 -112.21 155.41 24.03 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.193 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.476 ' CZ3' ' HB2' ' A' ' 79' ' ' ARG . 42.9 m95 -111.06 107.36 16.72 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -176.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.527 ' HA ' ' HA ' ' A' ' 116' ' ' SER . 1.2 pp -110.94 158.49 18.7 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.293 -177.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -81.25 133.63 35.47 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 120.988 0.423 . . . . 0.0 110.297 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.557 ' HA ' HG22 ' A' ' 113' ' ' VAL . 10.0 ptp -142.68 143.42 32.31 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.285 170.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -106.74 111.18 23.59 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 109' ' ' THR . 91.4 m -99.56 136.95 38.73 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 114.695 -1.138 . . . . 0.0 111.333 -176.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.412 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 15.9 m -96.59 120.18 36.43 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.222 175.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.506 ' OG ' HG11 ' A' ' 64' ' ' VAL . 9.3 t -98.08 155.63 17.04 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.339 0.59 . . . . 0.0 110.224 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 80.3 t80 -154.15 134.62 13.46 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.464 176.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.706 ' HB ' HD12 ' A' ' 103' ' ' ILE . 2.7 p -103.03 106.47 17.0 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 120.481 -0.488 . . . . 0.0 109.816 177.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.522 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 7.4 t80 -70.42 109.22 4.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.93 -171.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.474 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 49.2 mt-30 -91.85 127.73 37.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.293 177.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.448 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 52.3 t-20 -64.0 117.43 35.94 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 173.096 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.86 -14.27 21.74 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 123.038 2.492 . . . . 0.0 113.487 -174.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -117.98 4.99 12.09 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.448 ' HB2' ' HB3' ' A' ' 97' ' ' ASN . 25.3 m -141.98 -14.99 0.8 Allowed 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -174.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.3 t70 71.57 -15.11 0.45 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.151 0.58 . . . . 0.0 112.132 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 17.8 pt-20 -63.47 157.44 23.39 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 123.014 0.526 . . . . 0.0 111.297 -177.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.706 HD12 ' HB ' ' A' ' 94' ' ' THR . 48.6 mm -93.51 112.24 26.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 174.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -64.39 -47.48 79.08 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.693 0.759 . . . . 0.0 109.066 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -176.38 176.5 1.63 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.062 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.459 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 57.0 mt -97.16 142.2 14.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 175.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 47.3 mt -114.13 111.77 37.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 91.5 m -111.07 116.98 32.07 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.353 0.597 . . . . 0.0 111.23 -177.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' A' ' 90' ' ' THR . 8.0 m -93.19 109.53 21.04 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 173.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.469 ' O ' ' HA ' ' A' ' 11' ' ' GLU . 14.5 m120 -95.18 110.13 22.14 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -171.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.8 m -109.43 121.24 44.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.746 0.308 . . . . 0.0 110.858 -177.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -78.7 110.54 13.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.197 0.522 . . . . 0.0 110.217 -176.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.557 HG22 ' HA ' ' A' ' 88' ' ' MET . 0.6 OUTLIER -88.11 -174.97 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.929 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.133 175.647 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -74.83 165.79 24.67 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.51 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 68.97 171.46 0.3 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.49 173.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.527 ' HA ' ' HA ' ' A' ' 86' ' ' LEU . 19.0 m -148.33 -41.02 0.16 Allowed 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.181 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.6 m 64.42 67.82 0.56 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.558 0.694 . . . . 0.0 109.523 -173.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -62.55 -35.19 78.66 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.113 -176.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.669 -0.682 . . . . 0.0 109.23 -176.116 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 112.061 -0.415 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.672 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -98.33 -77.39 0.51 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.84 -0.212 . . . . 0.0 111.123 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.2 mmt 68.29 176.91 0.26 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.618 0.574 . . . . 0.0 112.037 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 57.42 27.08 13.37 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.421 -178.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.648 ' HB2' HG21 ' A' ' 30' ' ' VAL . 15.7 p30 -123.61 25.47 8.15 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.563 -175.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 m -81.35 110.05 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.185 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.3 t 59.22 70.3 0.66 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.791 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.573 ' HB3' ' HG2' ' A' ' 28' ' ' ARG . 26.5 mm-40 -98.17 147.89 33.72 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.399 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.482 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 76.3 Cg_exo -52.39 158.43 5.58 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.002 2.468 . . . . 0.0 112.311 174.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -83.51 8.5 13.84 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.443 0.64 . . . . 0.0 111.648 -172.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.666 ' HG2' ' HA ' ' A' ' 111' ' ' THR . 45.9 mt-10 -119.12 134.67 55.06 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 175.003 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -126.06 133.27 51.75 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.6 mt -93.64 125.37 46.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.464 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.5 p -131.05 140.34 50.06 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.234 0.54 . . . . 0.0 111.091 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.423 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 49.3 mtt180 -111.13 123.44 50.21 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.453 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -146.53 153.03 39.92 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.042 -170.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -74.93 154.23 38.25 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.421 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 26.1 pt -53.34 -21.12 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 O-C-N 124.43 1.082 . . . . 0.0 113.714 -168.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -73.55 -9.1 58.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.356 0.598 . . . . 0.0 110.739 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 44' ' ' ASN . . . 100.78 4.49 54.5 Favored Glycine 0 N--CA 1.44 -1.092 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 -177.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 31.7 mm -78.87 114.82 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 O-C-N 123.564 0.214 . . . . 0.0 110.989 -174.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.487 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 96.6 m-85 -75.51 122.25 23.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.036 0.446 . . . . 0.0 111.106 -178.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.1 p -110.43 -29.58 8.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.835 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.423 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 83.4 t80 -135.59 117.64 15.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.048 176.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.0 t -123.57 130.37 74.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.813 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -74.72 148.52 40.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.154 0.502 . . . . 0.0 110.221 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 5' ' ' ASN . 88.9 m-70 -60.51 -15.31 25.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.579 -174.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.656 ' HD2' ' O ' ' A' ' 11' ' ' GLU . 56.8 mtm180 -64.82 -11.14 33.91 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.5 p -57.79 -34.43 69.6 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.818 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.648 HG21 ' HB2' ' A' ' 5' ' ' ASN . 4.0 m -66.94 -30.37 49.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.447 -177.067 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.99 -51.39 9.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 -177.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.539 HG23 ' HB2' ' A' ' 112' ' ' ASN . 7.4 m -65.33 -50.46 65.57 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.422 HG11 ' CD1' ' A' ' 78' ' ' PHE . 35.1 m -129.36 14.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -169.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.59 -26.89 0.89 Allowed Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.938 -0.648 . . . . 0.0 114.39 174.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -70.3 140.29 52.26 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.261 0.553 . . . . 0.0 110.022 -177.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.646 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 15.4 mm-40 -84.13 154.85 63.88 Favored Pre-proline 0 C--N 1.311 -1.105 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 176.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.672 ' HD2' ' HB1' ' A' ' 2' ' ' ALA . 76.5 Cg_exo -47.95 -50.23 12.24 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.35 2.033 . . . . 0.0 111.868 -176.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -54.91 -46.39 74.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.386 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.646 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 8.7 mm-40 -62.65 -29.77 70.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.689 -172.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.3 tp -89.34 -25.63 21.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.274 -174.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 85.0 mt -60.36 115.32 3.45 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.051 0.453 . . . . 0.0 111.345 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.12 -12.84 34.1 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.29 178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.657 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 9.3 mmpt? -102.1 154.25 19.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.537 0.208 . . . . 0.0 110.48 -178.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.649 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 8.5 m120 -84.73 146.23 27.52 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.487 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 13.2 tt -61.33 -25.95 37.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.21 171.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.447 HG12 ' HB3' ' A' ' 44' ' ' ASN . 8.1 p -74.87 -15.7 16.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.21 -178.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.649 ' HG2' ' HB2' ' A' ' 44' ' ' ASN . 16.6 mm-40 -76.23 -29.42 57.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.145 0.497 . . . . 0.0 110.758 179.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -113.73 14.45 18.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.344 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.43 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 41.0 t -87.41 142.5 27.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.18 176.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.71 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 39.0 t-80 -49.85 127.03 19.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.02 173.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -49.33 -34.04 30.84 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 124.473 3.449 . . . . 0.0 114.59 -171.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -82.79 -9.86 59.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 111.355 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.3 m-20 -110.2 -13.04 14.41 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -170.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 50' ' ' HIS . 78.8 mt-30 -59.9 -41.05 90.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.925 -176.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -77.32 -31.17 54.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.431 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 tt -68.51 -49.11 62.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 122.131 0.967 . . . . 0.0 108.497 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.707 ' HA ' HG21 ' A' ' 74' ' ' VAL . 0.3 OUTLIER -61.25 -43.86 98.19 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 113.672 -1.604 . . . . 0.0 110.268 175.425 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.58 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 80.0 ttt180 -56.41 -54.4 46.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.811 0.339 . . . . 0.0 110.805 178.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.3 -32.7 68.69 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.495 0.664 . . . . 0.0 111.103 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.9 m -77.06 -32.43 56.82 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.899 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.534 ' O ' HG12 ' A' ' 64' ' ' VAL . 4.7 m-30 -69.54 -32.44 71.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.277 0.56 . . . . 0.0 109.773 173.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 58' ' ' ARG . 33.6 mt-30 -64.24 -38.72 92.07 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 174.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -70.01 -32.09 70.07 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.432 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 61' ' ' PHE . 8.6 p -71.87 -25.82 24.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 119.314 -0.954 . . . . 0.0 110.088 177.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 62.7 t -74.14 -25.9 20.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 171.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.555 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 59.6 mtpt -80.53 -38.26 29.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.433 176.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.865 HD12 HD23 ' A' ' 72' ' ' LEU . 43.0 mt -95.78 30.45 2.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.798 -176.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 95.0 mttt -29.86 109.99 0.05 Allowed 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.06 -18.9 33.29 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.607 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.447 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 75.6 mt-30 -95.12 144.83 25.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.746 0.308 . . . . 0.0 110.694 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.2 p -77.02 116.82 20.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.396 0.617 . . . . 0.0 109.758 173.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.865 HD23 HD12 ' A' ' 67' ' ' LEU . 1.6 tm? -103.68 115.33 30.3 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -179.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.6 p -89.99 121.23 31.89 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.866 0.365 . . . . 0.0 110.911 -177.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.707 HG21 ' HA ' ' A' ' 57' ' ' LEU . 2.4 p -124.24 128.4 73.85 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 CA-C-O 121.729 0.776 . . . . 0.0 110.399 175.175 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 11.1 ttt -107.13 128.16 54.14 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.475 -1.238 . . . . 0.0 109.877 -176.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.413 ' HZ ' HD11 ' A' ' 45' ' ' ILE . 19.3 p90 -161.51 178.66 8.89 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.159 -175.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.71 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 81.9 mtp180 -108.35 123.12 48.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.848 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.52 ' O ' ' HA ' ' A' ' 85' ' ' TRP . 2.1 t80 -98.23 139.88 33.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.587 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.58 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 36.9 ttp180 -82.02 109.16 16.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.168 0.509 . . . . 0.0 111.092 178.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.5 p -65.97 175.61 1.96 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.343 172.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -72.63 -8.65 56.34 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 -175.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -102.04 10.13 39.82 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.447 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 2.0 mp0 67.03 40.84 2.81 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 114.69 -1.141 . . . . 0.0 112.333 174.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.58 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 36.9 mm-40 -115.94 159.98 20.85 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.582 170.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.557 ' CZ3' ' HB2' ' A' ' 79' ' ' ARG . 11.5 m95 -115.43 92.12 3.82 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -173.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.649 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -83.85 163.32 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.619 -178.068 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.42 ' HB2' ' HG3' ' A' ' 114' ' ' LYS . 90.1 m95 -90.32 121.67 32.54 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.908 -175.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 13.1 ptp -135.04 148.82 50.01 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.605 176.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -111.62 112.58 24.39 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 173.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 108' ' ' CYS . 96.5 m -93.54 131.59 38.65 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.834 -176.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.4 m -90.17 110.09 21.13 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.088 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.618 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 9.7 m -92.68 128.16 38.44 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.415 -174.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 67.0 t80 -131.01 135.22 47.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.443 173.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.784 ' HB ' HD12 ' A' ' 103' ' ' ILE . 4.1 p -104.34 112.25 25.21 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.956 0.408 . . . . 0.0 110.209 175.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.433 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 5.1 t80 -81.72 103.07 11.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.23 0.538 . . . . 0.0 111.166 -173.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 51.7 mt-30 -75.02 115.67 14.9 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.863 173.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.44 ' HA ' ' HD2' ' A' ' 98' ' ' PRO . 27.2 t-20 -59.46 120.99 53.45 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.919 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.453 ' HG2' ' CE1' ' A' ' 99' ' ' TYR . 6.1 Cg_endo -50.77 -26.14 16.92 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 123.772 2.982 . . . . 0.0 113.737 -174.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.453 ' CE1' ' HG2' ' A' ' 98' ' ' PRO . 17.0 m-85 -106.42 8.25 31.49 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 -173.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 41.6 m -147.11 -18.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -176.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 63.46 7.88 3.24 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.406 0.682 . . . . 0.0 112.368 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.619 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 8.2 pt-20 -89.15 169.56 11.37 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 176.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.784 HD12 ' HB ' ' A' ' 94' ' ' THR . 48.9 mm -94.94 104.61 15.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 176.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -68.29 -36.3 79.15 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.211 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -174.76 176.37 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.059 176.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.453 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 64.5 mt -99.22 141.6 16.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.829 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 71.2 mt -114.59 107.49 23.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 177.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.438 ' HB2' ' CG2' ' A' ' 90' ' ' THR . 13.9 p -118.64 119.54 34.79 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.381 0.61 . . . . 0.0 112.029 -172.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.0 m -89.87 134.91 33.94 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 171.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -118.15 111.62 19.09 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -171.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.666 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 58.5 m -107.41 110.42 22.38 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.084 -175.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.539 ' HB2' HG23 ' A' ' 32' ' ' THR . 2.4 t-20 -81.3 109.91 16.25 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.01 -178.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 38.7 t -82.81 -95.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.065 -175.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.42 ' HG3' ' HB2' ' A' ' 87' ' ' TRP . 7.2 ptpp? -94.8 176.42 6.27 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 172.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 33.1 p30 -115.24 167.71 10.6 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.051 -174.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.541 ' HB2' ' O ' ' A' ' 85' ' ' TRP . 30.3 t -71.16 94.69 1.17 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.353 -0.839 . . . . 0.0 108.826 176.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.1 m -77.28 59.12 1.74 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.711 0.767 . . . . 0.0 110.104 -177.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -120.83 36.26 4.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.283 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 C--O 1.246 0.913 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.001 177.468 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.791 -0.523 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.457 ' HA ' HE21 ' A' ' 36' ' ' GLN . . . 58.11 68.05 0.88 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.134 0.492 . . . . 0.0 111.459 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.483 ' CE ' ' HA ' ' A' ' 3' ' ' MET . 22.3 mmt -77.47 168.11 20.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.717 178.192 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.406 ' O ' HG21 ' A' ' 30' ' ' VAL . 8.4 p-10 -81.78 -45.27 15.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.219 -177.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.474 ' O ' ' HB ' ' A' ' 6' ' ' VAL . 85.9 m-20 54.01 47.69 22.8 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 -175.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 95.4 t 76.92 143.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.269 -178.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -58.78 105.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.186 0.517 . . . . 0.0 111.14 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.714 ' HB3' ' HA ' ' A' ' 28' ' ' ARG . 74.5 mm-40 -104.3 144.66 29.15 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.176 -176.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 8' ' ' GLN . 14.1 Cg_exo -71.66 165.94 30.97 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.896 3.064 . . . . 0.0 112.011 172.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.55 HG22 ' HA ' ' A' ' 32' ' ' THR . 1.1 p -86.23 29.41 0.75 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.428 0.632 . . . . 0.0 111.929 -179.048 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 1.7 tm-20 -131.49 134.16 45.86 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 171.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.644 ' HB3' ' HB2' ' A' ' 28' ' ' ARG . 47.3 p90 -144.96 147.63 32.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.835 0.35 . . . . 0.0 110.996 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.6 mt -93.95 128.7 45.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.2 p -126.95 136.36 52.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.317 0.58 . . . . 0.0 110.866 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.508 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 69.9 mtt180 -111.1 126.55 54.95 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 176.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' HB3' ' HA ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -150.36 152.11 33.89 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.29 -172.72 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -73.01 155.4 39.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.462 ' HA ' HG13 ' A' ' 106' ' ' ILE . 37.3 pt -49.79 -27.36 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -167.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.01 -15.92 63.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.867 0.365 . . . . 0.0 111.198 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.59 4.4 32.27 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.89 -175.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.9 mm -83.0 115.48 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 121.957 0.103 . . . . 0.0 111.027 -172.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.601 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 97.8 m-85 -71.31 129.45 38.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.905 0.383 . . . . 0.0 111.753 -175.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.8 p -112.44 -24.58 9.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.742 176.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.508 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 87.2 t80 -144.16 127.4 16.7 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.58 176.303 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.419 HG21 HD23 ' A' ' 40' ' ' LEU . 87.3 t -131.11 135.73 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.809 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.567 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 13.3 t70 -81.41 149.68 28.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.281 0.563 . . . . 0.0 110.774 176.169 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.421 ' HA ' ' HG3' ' A' ' 37' ' ' PRO . 66.1 m80 -52.06 -23.98 6.1 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 114.816 -1.084 . . . . 0.0 113.322 -174.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.714 ' HA ' ' HB3' ' A' ' 8' ' ' GLN . 87.8 mtt180 -63.33 -9.04 10.2 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.786 0.327 . . . . 0.0 111.692 -178.248 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 39.7 t -60.32 -36.53 78.14 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.499 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.734 HG12 ' HA ' ' A' ' 36' ' ' GLN . 5.2 m -65.56 -34.51 70.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.244 -175.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.11 -50.85 10.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.996 0.427 . . . . 0.0 110.379 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.55 ' HA ' HG22 ' A' ' 10' ' ' THR . 5.7 m -56.04 -55.1 37.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.619 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.52 HG12 HD11 ' A' ' 86' ' ' LEU . 22.2 m -135.16 16.95 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -170.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.44 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 78.08 -28.09 1.97 Allowed Glycine 0 CA--C 1.517 0.194 0 C-N-CA 120.677 -0.773 . . . . 0.0 114.48 173.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -70.57 133.64 46.92 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 117.478 0.639 . . . . 0.0 110.192 -177.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.734 ' HA ' HG12 ' A' ' 30' ' ' VAL . 57.7 mm-40 -78.53 147.79 72.3 Favored Pre-proline 0 C--N 1.308 -1.211 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 175.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.657 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 76.2 Cg_exo -41.38 -51.33 4.16 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.564 2.176 . . . . 0.0 112.42 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -63.06 -39.32 94.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.999 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -64.78 -26.58 68.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.296 -175.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 18.0 tp -91.0 -24.24 20.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.546 -177.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 56.3 mt -61.97 124.71 21.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.706 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.64 -15.81 55.41 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.725 175.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -112.84 161.64 16.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.849 0.357 . . . . 0.0 110.808 -176.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -90.8 140.84 29.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.568 -172.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.601 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 13.8 tt -61.8 -28.37 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.52 173.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.4 t -70.74 -29.86 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.375 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.57 -24.63 65.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.092 0.473 . . . . 0.0 110.57 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -114.3 20.32 15.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.053 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.556 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 53.7 t -96.42 145.49 25.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.017 175.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.552 ' HA ' ' CE3' ' A' ' 85' ' ' TRP . 18.4 t-80 -44.06 126.91 4.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.66 173.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.38 -18.52 25.07 Favored 'Trans proline' 0 N--CA 1.477 0.52 0 C-N-CA 123.07 2.513 . . . . 0.0 113.45 -173.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -97.24 -6.52 34.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.29 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -116.45 -0.26 12.56 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -172.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.556 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 77.6 mt-30 -69.68 -32.05 70.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.911 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.03 -44.33 80.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.101 171.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.3 -45.99 79.99 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.224 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.455 HD23 HG21 ' A' ' 74' ' ' VAL . 12.4 mt -61.52 -45.58 93.61 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.696 174.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.513 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 41.7 ttt180 -53.11 -54.88 29.16 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.446 0.466 . . . . 0.0 110.484 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.624 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 13.6 t70 -56.13 -48.96 75.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.507 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.4 m -68.05 -33.43 74.55 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.146 -172.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.55 ' O ' HG23 ' A' ' 65' ' ' VAL . 15.4 m-30 -69.62 -35.97 75.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.001 0.429 . . . . 0.0 109.843 175.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 15.9 mm100 -66.07 -39.06 89.77 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 84.0 mm-40 -61.87 -48.16 81.77 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.237 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.06 -24.49 26.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.523 -176.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 61' ' ' PHE . 93.2 t -73.73 -23.84 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.407 0.622 . . . . 0.0 109.771 174.102 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -88.0 -36.05 17.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.35 0.595 . . . . 0.0 110.252 174.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.516 HD12 HD23 ' A' ' 72' ' ' LEU . 66.6 mt -89.76 29.4 1.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.086 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.582 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 99.3 mttt -34.51 108.62 0.07 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.356 0.662 . . . . 0.0 112.624 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.05 -18.34 26.23 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.823 -0.626 . . . . 0.0 113.179 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.473 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 32.3 mm-40 -95.17 142.19 27.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.0 t -77.67 114.72 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.173 175.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.516 HD23 HD12 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -112.21 113.77 26.19 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -178.32 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.821 ' HB2' ' HE ' ' A' ' 89' ' ' ARG . 32.5 p -91.26 121.95 33.46 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.062 0.458 . . . . 0.0 110.819 -176.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.455 HG21 HD23 ' A' ' 57' ' ' LEU . 4.0 p -116.65 131.12 70.2 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.883 0 CA-C-O 121.678 0.751 . . . . 0.0 110.113 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 20.1 ttt -114.86 124.96 53.07 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.838 -1.074 . . . . 0.0 109.726 -175.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -152.94 178.52 9.59 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.955 -172.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.59 ' HB3' ' HB3' ' A' ' 85' ' ' TRP . 10.8 mtm180 -106.56 107.16 18.03 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.019 0.437 . . . . 0.0 110.559 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.515 ' CD1' HG11 ' A' ' 33' ' ' VAL . 2.9 t80 -83.18 134.49 34.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.246 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.536 ' HG2' ' HA ' ' A' ' 83' ' ' GLN . 24.5 ttp180 -81.76 102.48 10.8 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.709 0.29 . . . . 0.0 110.842 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.498 ' HB3' ' HG2' ' A' ' 84' ' ' GLU . 47.8 t -58.55 173.54 0.39 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.97 172.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.44 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 18.9 tptm -70.99 -8.39 52.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.519 -173.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -99.12 9.16 44.04 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.536 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 2.2 mp0 64.31 44.42 4.31 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.849 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.498 ' HG2' ' HB3' ' A' ' 80' ' ' SER . 10.9 pt-20 -117.45 147.32 42.82 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.462 175.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.59 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 6.4 m95 -106.06 101.42 10.91 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 -172.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.547 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -104.11 157.28 17.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.742 0.306 . . . . 0.0 111.405 -176.397 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.502 ' HB2' ' HB2' ' A' ' 114' ' ' LYS . 72.6 m95 -78.47 110.68 13.77 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.233 0.54 . . . . 0.0 111.939 -173.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.574 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 2.3 tpp -121.57 130.84 53.78 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.122 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.821 ' HE ' ' HB2' ' A' ' 73' ' ' SER . 58.8 ttt180 -107.4 108.78 20.29 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 175.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.447 ' CG2' ' HB3' ' A' ' 108' ' ' CYS . 94.3 m -96.55 132.93 41.64 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.737 -177.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.519 ' OG ' ' HB ' ' A' ' 109' ' ' THR . 35.9 p -90.28 119.85 30.94 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 175.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.6 m -96.85 124.47 40.83 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.586 -175.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.661 ' HE2' ' HD1' ' A' ' 95' ' ' PHE . 61.7 t80 -127.25 135.02 50.03 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 171.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.682 ' HB ' HD12 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -93.19 111.29 22.89 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 109.722 -0.474 . . . . 0.0 109.722 174.725 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.661 ' HD1' ' HE2' ' A' ' 93' ' ' PHE . 9.8 t80 -72.86 95.26 1.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.178 0.513 . . . . 0.0 110.546 -174.232 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 53.5 mt-30 -82.76 128.93 34.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.655 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -59.61 120.52 49.77 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.327 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.0 -8.49 6.21 Favored 'Trans proline' 0 N--CA 1.474 0.38 0 C-N-CA 123.407 2.738 . . . . 0.0 113.765 -173.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -100.97 -37.23 8.72 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -177.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.9 t -144.41 22.02 1.68 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 119.932 -0.707 . . . . 0.0 112.743 -172.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.48 8.64 3.67 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 172.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 32.5 mt-10 -65.07 148.13 52.22 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 118.173 0.442 . . . . 0.0 110.527 -178.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.682 HD12 ' HB ' ' A' ' 94' ' ' THR . 49.4 mm -91.01 100.99 12.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.943 178.169 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -58.45 -47.52 83.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.694 176.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.579 ' HE1' HD11 ' A' ' 107' ' ' ILE . 1.4 p90 179.97 -172.13 0.19 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 113.84 -1.527 . . . . 0.0 109.378 -178.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.462 HG13 ' HA ' ' A' ' 18' ' ' ILE . 45.3 mt -100.65 140.19 20.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.579 HD11 ' HE1' ' A' ' 105' ' ' TYR . 21.2 mm -110.38 111.48 36.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 178.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 91' ' ' SER . 57.0 m -121.75 121.93 38.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.3 0.571 . . . . 0.0 112.278 -172.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.519 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 30.5 m -93.48 121.19 34.63 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 169.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.574 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 4.0 m-20 -104.11 110.56 22.79 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -172.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.5 m -116.86 113.53 22.61 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.964 -177.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 88' ' ' MET . 2.6 t30 -83.14 128.94 34.93 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 18.4 t -105.58 -83.29 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.218 0.532 . . . . 0.0 109.68 -178.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.502 ' HB2' ' HB2' ' A' ' 87' ' ' TRP . 58.2 mtpt -86.98 173.84 9.07 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.67 176.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.85 21.41 13.35 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -177.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.478 ' HA ' ' CD1' ' A' ' 87' ' ' TRP . 23.0 t 71.22 162.99 0.26 Allowed 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.805 -176.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.1 p -76.03 66.34 2.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.206 0.527 . . . . 0.0 109.948 175.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -61.88 -28.61 69.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.915 -177.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 C--O 1.25 1.088 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.597 174.587 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.892 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.85 -68.9 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.565 ' HA ' HE22 ' A' ' 36' ' ' GLN . 43.5 ttp 59.88 45.18 12.74 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.769 0.795 . . . . 0.0 110.103 178.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -149.91 -85.01 0.09 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.284 177.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.436 ' HB3' ' HB3' ' A' ' 27' ' ' HIS . 93.8 m-20 50.69 34.63 10.21 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.399 0.437 . . . . 0.0 111.373 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.603 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 67.7 t 72.16 140.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 O-C-N 123.632 0.583 . . . . 0.0 110.254 -174.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -57.72 114.63 2.37 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.907 0.384 . . . . 0.0 110.617 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.883 ' HB3' ' HG2' ' A' ' 28' ' ' ARG . 80.9 mm-40 -110.63 156.25 40.85 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.93 -172.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.446 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 33.5 Cg_exo -64.09 165.12 20.16 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 123.409 2.739 . . . . 0.0 112.099 169.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m -88.14 25.72 1.54 Allowed 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.437 0.637 . . . . 0.0 111.389 -175.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.517 ' HG2' ' HA ' ' A' ' 111' ' ' THR . 47.5 mt-10 -128.67 135.16 48.89 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 171.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.45 ' HE1' ' HE1' ' A' ' 88' ' ' MET . 40.4 p90 -137.49 144.51 42.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.079 0.466 . . . . 0.0 111.039 178.279 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -102.9 127.66 56.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.043 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.8 m -131.87 131.75 43.04 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.59 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.0 mtm-85 -101.11 121.17 41.34 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.482 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -135.65 149.79 49.41 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.673 -173.551 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -73.34 156.88 37.94 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.8 pt -53.01 -21.03 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -168.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.512 ' HB2' HG12 ' A' ' 21' ' ' ILE . 40.1 mt-10 -70.35 -18.87 63.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.137 0.494 . . . . 0.0 110.509 176.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.33 3.82 33.08 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.48 -173.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.512 HG12 ' HB2' ' A' ' 19' ' ' GLU . 39.2 mm -84.42 120.07 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 122.169 0.188 . . . . 0.0 111.12 -171.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -73.29 130.14 39.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.701 0.286 . . . . 0.0 110.915 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.5 t -120.98 -16.94 7.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.01 0.434 . . . . 0.0 110.523 177.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -149.69 124.54 9.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.407 . . . . 0.0 109.961 172.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.577 ' HB ' ' HA ' ' A' ' 37' ' ' PRO . 78.1 t -128.68 139.07 52.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.459 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -82.68 148.64 27.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.408 0.623 . . . . 0.0 110.943 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.436 ' HB3' ' HB3' ' A' ' 5' ' ' ASN . 50.3 m80 -59.11 -18.94 40.07 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 114.947 -1.024 . . . . 0.0 113.231 -172.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.883 ' HG2' ' HB3' ' A' ' 8' ' ' GLN . 84.9 mtm180 -64.25 -8.47 12.79 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 111.726 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.1 t -59.57 -34.44 72.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.89 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.9 m -66.51 -36.39 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.069 -175.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.6 -46.8 18.48 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.843 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.7 m -59.69 -49.5 77.5 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.6 HG11 ' CD1' ' A' ' 78' ' ' PHE . 16.6 m -129.53 -21.72 1.42 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.185 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -172.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.98 -21.69 26.87 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 119.486 -1.34 . . . . 0.0 113.041 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.52 ' H ' HG23 ' A' ' 33' ' ' VAL . 17.1 m-85 -72.03 150.47 43.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.134 0.492 . . . . 0.0 110.38 178.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.565 HE22 ' HA ' ' A' ' 3' ' ' MET . 30.5 mm-40 -98.59 153.92 37.73 Favored Pre-proline 0 C--N 1.31 -1.115 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 176.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.635 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 88.0 Cg_exo -43.2 -49.56 7.17 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.065 1.843 . . . . 0.0 111.451 175.042 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -54.37 -41.01 68.69 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.747 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -64.08 -31.65 72.91 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.06 -171.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.0 mt -89.36 -22.71 22.47 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.661 -177.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 52.7 mt -61.98 106.28 0.69 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.159 0.504 . . . . 0.0 111.195 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.54 -8.42 40.46 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.344 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -112.42 150.8 30.64 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 121.056 0.455 . . . . 0.0 110.01 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.538 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 17.2 t-20 -87.51 145.81 26.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.924 -176.13 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.6 tt -62.34 -28.27 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.388 175.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.0 p -72.09 -22.09 20.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-O 120.882 0.373 . . . . 0.0 110.455 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.538 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 5.1 mm-40 -64.98 -39.61 93.73 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.351 0.596 . . . . 0.0 109.793 177.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.507 ' HB3' ' HB3' ' A' ' 79' ' ' ARG . 40.0 m-85 -105.12 20.77 18.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.996 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.456 ' SG ' HD12 ' A' ' 57' ' ' LEU . 36.1 t -97.8 129.59 44.78 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.985 174.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 60.3 t60 -48.5 125.77 12.51 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.95 177.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 50' ' ' HIS . 83.2 Cg_exo -48.93 -25.15 8.22 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 124.154 3.236 . . . . 0.0 114.474 -173.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -87.89 -10.17 51.5 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.371 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -112.36 -3.47 14.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.96 0.41 . . . . 0.0 110.049 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -59.77 -45.3 92.7 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.19 -175.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -69.32 -36.14 76.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.299 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.84 -41.66 87.45 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.223 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 76' ' ' PHE . 12.8 mt -65.07 -47.14 78.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.535 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 66.8 mtt180 -58.11 -52.94 63.44 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 120.847 0.356 . . . . 0.0 110.629 -178.136 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -54.53 -44.35 72.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.099 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.7 m -76.23 -33.62 59.21 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.352 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.531 ' O ' HG12 ' A' ' 64' ' ' VAL . 10.9 m-30 -69.3 -32.55 71.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.06 0.457 . . . . 0.0 109.94 176.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 15.7 mm100 -65.18 -37.34 87.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.12 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.42 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 75.3 mt-30 -73.95 -28.84 61.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.447 -178.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 61' ' ' PHE . 9.0 p -72.87 -26.04 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.381 175.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.494 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 58.4 t -75.68 -28.69 19.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 171.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 63' ' ' GLN . 62.9 mtpt -78.49 -23.99 46.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.904 176.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.889 ' HB3' ' HB2' ' A' ' 70' ' ' GLN . 32.3 mt -85.28 -51.61 6.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.509 176.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.787 ' HG2' HD11 ' A' ' 103' ' ' ILE . 98.4 mttt 62.28 95.24 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.523 0.678 . . . . 0.0 112.145 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.85 -11.12 70.05 Favored Glycine 0 C--N 1.317 -0.522 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.365 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.889 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 2.6 mp0 -94.16 137.89 32.82 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.0 p -76.58 121.08 27.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.399 0.619 . . . . 0.0 110.393 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.532 HD23 ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -108.84 114.79 28.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.115 -179.437 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.1 m -91.79 120.93 32.96 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.076 0.465 . . . . 0.0 110.108 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.93 137.33 55.1 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 CA-C-O 121.67 0.747 . . . . 0.0 109.684 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 26.0 ttt -117.39 130.29 56.4 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.108 -172.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.46 ' CD1' HD21 ' A' ' 57' ' ' LEU . 15.5 p90 -152.95 179.28 8.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.602 -173.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 23.6 mtp180 -103.8 106.43 16.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.058 0.456 . . . . 0.0 110.305 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.6 ' CD1' HG11 ' A' ' 33' ' ' VAL . 24.0 t80 -86.09 140.57 30.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.408 -177.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.591 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 5.1 ttm180 -78.72 114.94 18.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.179 0.514 . . . . 0.0 111.384 -177.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 t -64.61 168.55 5.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.635 172.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -65.29 -17.87 64.85 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 121.34 0.591 . . . . 0.0 109.931 176.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -86.42 -1.97 58.03 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.59 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 28.8 mm-40 67.82 23.88 8.35 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 113.508 -1.678 . . . . 0.0 111.275 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.591 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 32.7 mm-40 -82.55 172.57 12.84 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 166.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -128.53 95.12 4.04 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -174.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.582 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -96.43 157.98 15.65 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -170.005 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.52 ' HB2' ' H ' ' A' ' 115' ' ' ASN . 82.3 m95 -75.65 105.38 6.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.217 -0.902 . . . . 0.0 111.885 -177.303 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.569 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 4.0 tpp -121.85 133.97 54.88 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.718 177.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -109.49 109.18 19.92 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 174.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.451 ' CG2' ' HB3' ' A' ' 108' ' ' CYS . 89.1 m -93.93 131.16 39.65 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.98 -174.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.7 m -88.92 112.53 23.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.165 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.467 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 4.2 m -90.25 129.21 36.52 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.617 -175.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.564 ' HE1' ' HD1' ' A' ' 95' ' ' PHE . 36.6 t80 -129.36 135.18 48.39 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 172.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.53 ' HB ' HD13 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -102.76 111.96 24.52 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.007 0.432 . . . . 0.0 110.517 176.858 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.564 ' HD1' ' HE1' ' A' ' 93' ' ' PHE . 27.0 t80 -79.03 116.73 19.51 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.561 -173.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.486 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 21.0 mt-30 -99.13 147.76 24.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.717 -177.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.443 ' HB2' ' OE2' ' A' ' 104' ' ' GLU . 25.0 t30 -85.05 111.29 34.83 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 169.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.2 1.97 2.13 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 123.191 2.594 . . . . 0.0 113.466 -172.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -108.37 3.88 23.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.333 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.0 t -157.95 -0.29 0.1 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.921 -176.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 49.07 27.28 1.66 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.281 0.632 . . . . 0.0 112.381 -176.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 10.7 pt-20 -91.92 159.75 15.61 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.308 177.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.787 HD11 ' HG2' ' A' ' 68' ' ' LYS . 67.1 mt -102.73 123.48 56.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.265 0.555 . . . . 0.0 110.012 177.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.443 ' OE2' ' HB2' ' A' ' 97' ' ' ASN . 2.1 mt-10 -84.67 -41.28 16.45 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.931 -174.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -171.85 178.38 3.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.326 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.482 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 43.7 mt -105.18 143.26 16.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.64 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.3 mt -118.16 110.09 29.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.451 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 66.5 m -112.53 115.42 28.62 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.089 0.471 . . . . 0.0 112.246 -174.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.6 m -84.97 134.12 34.25 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 168.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.569 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 38.1 m-80 -115.32 111.36 20.76 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -171.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.517 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 37.6 m -108.3 107.83 18.59 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.352 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -79.36 117.29 20.2 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 31.8 t -92.73 -96.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.958 -172.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -65.97 -50.81 63.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.488 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.52 ' H ' ' HB2' ' A' ' 87' ' ' TRP . 46.7 t-20 69.52 140.28 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 O-C-N 124.068 0.855 . . . . 0.0 109.403 -172.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.6 m -77.52 69.54 3.79 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.339 0.59 . . . . 0.0 109.748 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.3 p -61.84 115.79 4.31 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.339 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 119' ' ' GLU . 82.8 mt-30 -80.34 85.16 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 174.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 118' ' ' GLN . 45.1 mt-10 . . . . . 0 C--O 1.247 0.949 0 O-C-N 124.438 1.086 . . . . 0.0 110.077 -173.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.846 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 3' ' ' MET . . . 51.24 58.41 5.56 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 122.722 0.409 . . . . 0.0 111.342 179.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.487 ' HA ' HE22 ' A' ' 36' ' ' GLN . 50.2 ttm 172.74 106.92 0.01 OUTLIER 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.941 -175.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.35 -43.94 0.56 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.244 0.617 . . . . 0.0 111.699 -178.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.584 ' O ' HG12 ' A' ' 6' ' ' VAL . 48.3 m-20 56.34 65.09 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 122.846 0.459 . . . . 0.0 110.65 174.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 5' ' ' ASN . 0.3 OUTLIER 69.84 7.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.93 1.292 . . . . 0.0 111.306 -179.104 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.0 t 72.33 121.77 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.009 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.55 ' HB3' ' HG2' ' A' ' 28' ' ' ARG . 86.2 mm-40 -119.24 162.64 30.86 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.02 -175.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 32.5 Cg_exo -58.84 160.3 18.45 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 123.109 2.539 . . . . 0.0 112.308 171.136 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.444 ' HB ' ' HB3' ' A' ' 112' ' ' ASN . 5.6 p -88.64 28.76 1.08 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.041 0.448 . . . . 0.0 111.892 -178.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -137.22 134.32 36.11 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 172.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -136.53 147.5 47.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.074 0.464 . . . . 0.0 110.544 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.5 mt -107.22 130.13 59.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.3 m -136.15 149.89 48.82 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.109 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.583 ' HG2' HG12 ' A' ' 107' ' ' ILE . 99.3 mtt180 -110.48 130.71 55.5 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 176.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.518 ' HB3' ' HA ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -149.23 152.78 36.58 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.833 -172.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -76.56 157.0 32.38 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.499 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 32.2 pt -50.08 -30.24 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -165.254 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -81.21 2.6 27.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.335 0.588 . . . . 0.0 110.67 -177.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.91 5.4 50.56 Favored Glycine 0 N--CA 1.439 -1.13 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.821 175.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.9 mm -78.4 108.62 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 116.71 0.255 . . . . 0.0 110.896 -175.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.518 ' HA ' ' HB3' ' A' ' 16' ' ' HIS . 95.4 m-85 -71.48 122.96 21.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.814 0.34 . . . . 0.0 111.41 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 p -105.51 -27.51 11.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.723 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -140.0 117.84 11.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.236 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.706 HG21 ' HB3' ' A' ' 40' ' ' LEU . 94.7 t -124.14 135.45 63.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.701 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.419 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 13.1 t70 -81.76 149.45 28.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.53 0.681 . . . . 0.0 110.559 175.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.417 ' O ' HG22 ' A' ' 30' ' ' VAL . 18.8 m80 -58.79 -20.48 50.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.724 -1.125 . . . . 0.0 112.295 -173.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.55 ' HG2' ' HB3' ' A' ' 8' ' ' GLN . 91.1 mtt180 -66.31 -6.6 14.61 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.09 0.471 . . . . 0.0 111.18 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.446 ' SG ' HD22 ' A' ' 40' ' ' LEU . 44.8 t -60.24 -35.72 76.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.149 176.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.762 HG12 ' HA ' ' A' ' 36' ' ' GLN . 12.4 m -65.97 -33.29 62.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.547 -175.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.56 -51.4 9.35 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.901 0.381 . . . . 0.0 110.411 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 m -56.43 -55.76 29.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.839 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.0 m -133.86 20.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -168.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.0 -37.26 1.93 Allowed Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.36 -0.924 . . . . 0.0 114.416 174.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -70.55 137.16 49.88 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 121.421 0.629 . . . . 0.0 111.037 -173.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.762 ' HA ' HG12 ' A' ' 30' ' ' VAL . 50.2 mm-40 -75.99 154.24 84.78 Favored Pre-proline 0 C--N 1.31 -1.144 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 176.073 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.702 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 4.2 Cg_exo -44.37 -51.23 7.13 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 121.869 1.713 . . . . 0.0 110.978 175.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.446 ' CD ' ' H ' ' A' ' 38' ' ' GLN . 20.5 mp0 -59.77 -44.8 93.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.723 178.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -56.76 -33.87 67.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.762 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.706 ' HB3' HG21 ' A' ' 25' ' ' VAL . 13.9 tp -87.9 -25.62 23.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.735 -175.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 81.7 mt -59.45 117.77 5.24 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.465 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.74 -9.06 64.02 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.255 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -104.32 148.18 26.67 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.633 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 8.3 m120 -81.81 142.68 32.35 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.323 176.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.515 ' HB ' ' CE1' ' A' ' 22' ' ' PHE . 12.0 tt -62.47 -26.54 40.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.944 171.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.616 HG12 ' HB3' ' A' ' 44' ' ' ASN . 9.9 p -75.59 -23.8 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.659 178.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.633 ' HG2' ' HB2' ' A' ' 44' ' ' ASN . 62.6 mm-40 -71.5 -19.46 62.19 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.443 0.64 . . . . 0.0 110.179 178.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -120.61 33.93 5.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.553 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.4 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 48.9 t -108.81 143.76 37.55 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.496 176.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.644 ' NE2' ' HB2' ' A' ' 52' ' ' GLU . 49.5 t60 -49.14 117.71 6.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 167.031 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.422 ' HA ' ' CD ' ' A' ' 54' ' ' GLN . 86.6 Cg_exo -48.47 -32.96 21.91 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 124.126 3.217 . . . . 0.0 114.7 -171.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.644 ' HB2' ' NE2' ' A' ' 50' ' ' HIS . 32.5 mt-10 -81.98 -4.95 57.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.765 0.316 . . . . 0.0 111.261 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.45 ' CG ' ' HD2' ' A' ' 50' ' ' HIS . 84.4 m-20 -111.8 -1.23 15.66 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 176.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.422 ' CD ' ' HA ' ' A' ' 51' ' ' PRO . 66.8 mt-30 -68.65 -33.54 74.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.394 -178.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -72.17 -33.33 67.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.198 171.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.46 HD22 HG23 ' A' ' 74' ' ' VAL . 1.0 OUTLIER -59.58 -51.03 71.58 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.396 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.4 HD21 ' CD1' ' A' ' 76' ' ' PHE . 26.8 mt -60.23 -49.43 77.64 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.678 175.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.661 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 61.2 ttt180 -50.0 -56.65 9.86 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.702 0.626 . . . . 0.0 110.39 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.28 -49.02 79.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.504 -177.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.5 m -71.07 -27.83 63.91 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.321 -171.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.415 ' O ' HG23 ' A' ' 65' ' ' VAL . 4.9 m-30 -69.3 -33.5 73.27 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 175.006 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.661 ' HG3' ' O ' ' A' ' 58' ' ' ARG . 28.6 mt-30 -61.29 -44.29 97.47 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.425 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 2.9 mp0 -57.5 -45.45 84.91 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.518 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.438 HG11 ' HB3' ' A' ' 92' ' ' SER . 9.6 p -69.34 -29.66 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 119.901 -0.719 . . . . 0.0 111.215 -177.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.591 ' HA ' HG21 ' A' ' 94' ' ' THR . 89.3 t -74.21 -22.89 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.321 0.582 . . . . 0.0 110.121 176.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -91.9 -24.56 19.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.336 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.575 HD12 HD23 ' A' ' 72' ' ' LEU . 26.8 mt -77.77 -41.95 35.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.466 174.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.784 ' HG2' HD11 ' A' ' 103' ' ' ILE . 94.3 mttt 57.69 97.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.985 0.803 . . . . 0.0 113.048 174.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.56 2.97 72.18 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.186 176.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.498 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 26.1 mm-40 -110.91 142.02 43.55 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 92' ' ' SER . 7.2 p -77.59 124.1 35.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.33 0.586 . . . . 0.0 110.85 -178.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.575 HD23 HD12 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -114.24 113.76 25.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.48 -0.782 . . . . 0.0 108.978 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.432 ' HB3' ' HD2' ' A' ' 89' ' ' ARG . 47.4 m -94.16 121.16 35.37 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.593 -176.27 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.46 HG23 HD22 ' A' ' 56' ' ' LEU . 4.3 p -121.82 130.97 74.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.693 0.758 . . . . 0.0 110.247 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 21.1 ttt -115.25 126.08 54.1 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.377 -172.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.4 ' CD1' HD21 ' A' ' 57' ' ' LEU . 15.9 p90 -154.84 179.21 9.32 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.074 -172.245 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.594 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 44.1 mtt180 -98.83 109.9 22.59 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 177.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.459 ' O ' ' HA ' ' A' ' 85' ' ' TRP . 8.1 t80 -85.94 129.36 34.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.694 -176.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -84.14 97.91 9.61 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.062 0.458 . . . . 0.0 110.62 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.0 t -61.71 174.13 0.86 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.695 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 81' ' ' LYS . 45.2 tptt -61.62 -15.02 35.7 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.154 0.502 . . . . 0.0 111.131 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -95.83 2.81 53.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.695 -177.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 67.63 31.36 6.11 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.242 -175.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -101.09 132.26 46.62 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.896 176.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.459 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 17.4 m0 -108.11 81.56 1.51 Allowed 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.632 -0.427 . . . . 0.0 109.934 -171.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.594 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.0 OUTLIER -88.06 171.27 10.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.944 -173.078 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -84.48 106.43 16.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.463 0.649 . . . . 0.0 111.118 -176.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.56 ' HE1' ' HB3' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -126.9 138.03 53.24 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.292 -176.854 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.432 ' HD2' ' HB3' ' A' ' 73' ' ' SER . 43.5 ttp180 -111.02 119.0 37.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.001 0.429 . . . . 0.0 110.02 177.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.403 HG23 ' HB2' ' A' ' 108' ' ' CYS . 97.9 m -94.9 123.19 38.23 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.711 177.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.465 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 9.0 m -91.91 115.29 27.93 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 176.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.483 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 3.6 m -95.07 123.0 38.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.688 -173.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.528 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 53.3 t80 -121.86 134.56 54.88 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 171.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.591 HG21 ' HA ' ' A' ' 65' ' ' VAL . 1.0 OUTLIER -103.03 113.67 27.33 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.08 175.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.528 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 31.2 t80 -75.85 95.1 3.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.235 0.54 . . . . 0.0 111.175 -172.317 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 22.0 mt-30 -77.04 121.28 23.32 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.249 169.099 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.523 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 40.8 t-20 -54.05 117.17 12.0 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 175.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 97' ' ' ASN . 11.7 Cg_endo -56.42 -13.91 11.36 Favored 'Trans proline' 0 CA--C 1.528 0.194 0 C-N-CA 123.289 2.659 . . . . 0.0 113.656 -174.062 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -119.89 4.93 10.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.794 -0.184 . . . . 0.0 111.331 -177.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.523 ' HB2' ' HB3' ' A' ' 97' ' ' ASN . 35.1 m -139.44 -17.25 1.01 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -175.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 65.12 7.82 4.36 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.201 0.6 . . . . 0.0 112.597 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.619 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 11.7 pt-20 -87.43 157.62 19.17 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.784 HD11 ' HG2' ' A' ' 68' ' ' LYS . 51.8 mt -103.95 111.28 32.98 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.549 0 CA-C-O 121.441 0.639 . . . . 0.0 109.981 176.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.448 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 4.1 pt-20 -85.35 -37.64 19.67 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.122 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.425 ' CD2' ' HG3' ' A' ' 104' ' ' GLU . 22.5 p90 -167.19 177.58 6.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 63.1 mt -104.62 145.65 12.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.599 178.041 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.583 HG12 ' HG2' ' A' ' 15' ' ' ARG . 58.7 mt -115.27 113.25 42.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 174.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 91' ' ' SER . 22.3 p -109.66 126.18 53.39 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.372 0.606 . . . . 0.0 111.437 -174.023 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.432 ' HB ' ' HB2' ' A' ' 91' ' ' SER . 7.4 m -93.85 118.01 30.88 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 170.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.56 ' HB3' ' HE1' ' A' ' 88' ' ' MET . 37.7 m-80 -109.11 110.52 21.78 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.196 -172.204 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.0 m -114.57 130.16 56.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.082 -175.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.444 ' HB3' ' HB ' ' A' ' 10' ' ' THR . 64.0 t30 -87.06 111.53 20.99 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 33.3 t -81.19 -83.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.069 0.461 . . . . 0.0 109.927 -178.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -123.79 179.55 4.77 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.701 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -98.39 151.89 20.07 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.397 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.3 t -78.56 172.08 14.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.797 -174.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 38.1 t -66.28 85.19 0.1 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.079 175.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -78.87 62.52 3.36 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 177.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.201 -0.904 . . . . 0.0 109.773 -175.279 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.894 -0.482 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.475 ' HB3' ' HG2' ' A' ' 38' ' ' GLN . . . -159.19 -164.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.408 ' HB2' ' O ' ' A' ' 2' ' ' ALA . 74.7 mtp 74.9 7.76 4.24 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.875 0.734 . . . . 0.0 110.393 -176.438 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -92.94 -8.24 43.74 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 170.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.468 ' CB ' ' HB3' ' A' ' 27' ' ' HIS . 9.5 p-10 -92.35 141.96 27.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.66 -173.391 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.9 p -163.82 142.43 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.459 178.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.7 t 63.55 76.31 0.36 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.503 0.668 . . . . 0.0 110.633 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.448 ' CB ' ' HA ' ' A' ' 28' ' ' ARG . 15.2 mm-40 -118.45 163.15 26.82 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.251 -177.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 31.8 Cg_exo -59.09 157.4 29.77 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.693 2.262 . . . . 0.0 111.744 169.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.3 p -89.15 31.7 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.375 0.607 . . . . 0.0 111.177 -179.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 36.5 tt0 -140.2 134.29 30.93 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.667 ' HB3' ' HB2' ' A' ' 28' ' ' ARG . 32.2 p90 -139.35 141.54 37.64 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.303 0.573 . . . . 0.0 111.267 -178.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.6 mt -93.58 138.23 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.182 177.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 p -143.64 147.92 35.05 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.172 0.51 . . . . 0.0 111.76 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.473 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 7.7 mtp180 -110.48 121.31 45.0 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 175.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.438 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -135.99 157.76 46.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.605 0.717 . . . . 0.0 112.625 -173.206 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.727 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 1.2 t-20 -69.04 148.31 50.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 113.804 -1.544 . . . . 0.0 109.761 176.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.5 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 35.7 pt -49.01 -29.71 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 O-C-N 124.519 1.137 . . . . 0.0 114.053 -170.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -81.91 -6.12 58.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.703 0.287 . . . . 0.0 111.471 -178.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.406 ' HA2' ' CD2' ' A' ' 16' ' ' HIS . . . 107.69 10.72 26.34 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.713 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.727 ' HB ' ' HB3' ' A' ' 17' ' ' ASN . 47.9 mm -81.11 123.08 37.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.999 0.399 . . . . 0.0 110.617 -174.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.614 ' CE2' ' HB ' ' A' ' 45' ' ' ILE . 63.3 m-85 -74.56 118.23 17.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.169 0.509 . . . . 0.0 111.469 -178.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.6 m -107.92 -31.56 7.94 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.12 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.473 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 89.5 t80 -145.74 125.89 13.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.123 176.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.58 137.56 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.758 0.313 . . . . 0.0 110.952 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.586 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 13.4 t70 -72.81 149.4 43.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.463 0.649 . . . . 0.0 111.338 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 5' ' ' ASN . 21.0 m80 -50.1 -25.33 3.38 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.438 -1.255 . . . . 0.0 113.012 -177.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.667 ' HB2' ' HB3' ' A' ' 12' ' ' PHE . 39.7 mtt180 -63.8 -12.46 35.87 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -175.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.5 t -56.1 -36.58 68.31 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.994 0.426 . . . . 0.0 111.688 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.814 HG12 ' HA ' ' A' ' 36' ' ' GLN . 5.2 m -64.96 -37.92 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 -175.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.2 -46.94 16.9 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.369 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.465 HG23 ' HB2' ' A' ' 112' ' ' ASN . 17.2 m -50.77 -50.19 56.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.498 177.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.634 HG11 ' CD1' ' A' ' 78' ' ' PHE . 18.4 m -132.27 -30.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -174.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.441 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 123.13 -26.11 6.2 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 119.827 -1.178 . . . . 0.0 113.362 -177.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.505 ' H ' HG23 ' A' ' 33' ' ' VAL . 24.3 m-85 -72.13 138.91 48.04 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.654 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.814 ' HA ' HG12 ' A' ' 30' ' ' VAL . 9.3 mm100 -82.64 152.75 67.18 Favored Pre-proline 0 C--N 1.312 -1.037 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 174.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.708 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 80.1 Cg_exo -44.2 -50.53 7.63 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.004 1.802 . . . . 0.0 110.896 175.431 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.475 ' HG2' ' HB3' ' A' ' 2' ' ' ALA . 13.4 mm-40 -52.86 -50.76 63.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.605 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -62.73 -31.95 72.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.579 -174.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 tp -82.9 -27.73 30.46 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.383 -176.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 81.0 mt -59.36 111.78 1.5 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.641 178.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.88 -22.1 15.0 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.223 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 8.0 mmpt? -97.13 138.72 34.2 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.607 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 31.1 t-20 -75.92 140.11 41.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.917 175.287 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.614 ' HB ' ' CE2' ' A' ' 22' ' ' PHE . 14.7 tt -59.31 -26.94 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.635 175.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.407 HG12 ' CG ' ' A' ' 44' ' ' ASN . 2.5 p -77.78 -16.45 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.929 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.607 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 55.8 mm-40 -66.43 -42.9 87.02 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.363 0.601 . . . . 0.0 109.706 175.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.673 ' HB3' ' HB3' ' A' ' 79' ' ' ARG . 43.8 m-85 -100.29 23.54 9.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.962 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 47.4 t -97.09 134.88 39.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.381 173.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.771 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 15.7 t-80 -56.61 127.8 73.78 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.29 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -52.69 -19.32 10.34 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 123.925 3.083 . . . . 0.0 115.159 -171.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.52 ' HG2' ' ND1' ' A' ' 50' ' ' HIS . 11.8 pt-20 -92.88 -14.21 27.94 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.847 -0.533 . . . . 0.0 111.015 -177.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.704 ' OD1' ' HB3' ' A' ' 50' ' ' HIS . 0.6 OUTLIER -120.47 8.51 10.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.415 0.626 . . . . 0.0 110.145 -177.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -64.34 -32.4 73.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.818 173.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -63.22 -35.08 79.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.145 176.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.98 -48.31 79.39 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.345 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 57' ' ' LEU . 17.4 mt -61.37 -40.5 94.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.747 176.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -59.98 -60.21 4.2 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.526 0.203 . . . . 0.0 110.563 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.679 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 26.6 t70 -61.17 -46.08 91.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.607 -177.021 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 98.0 p -65.05 -44.08 90.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.131 0.491 . . . . 0.0 111.384 -172.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.542 ' O ' HG23 ' A' ' 65' ' ' VAL . 10.2 m-30 -61.42 -39.97 92.72 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.202 178.046 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.524 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 9.3 mm100 -65.71 -40.77 92.57 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.711 176.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.679 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 84.8 mm-40 -63.04 -46.56 86.97 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.449 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.588 HG11 ' OG ' ' A' ' 92' ' ' SER . 7.8 p -67.7 -25.19 32.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.808 0.337 . . . . 0.0 111.121 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.796 ' HA ' HG21 ' A' ' 94' ' ' THR . 74.8 t -69.74 -32.87 53.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.54 0.686 . . . . 0.0 109.344 173.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 54.5 mtpt -80.12 -33.6 38.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.285 175.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 62.0 mt -86.03 30.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.704 -179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.87 ' HG2' HD11 ' A' ' 103' ' ' ILE . 96.7 mttt -28.06 108.71 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.56 -21.91 31.6 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.865 174.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -90.88 138.04 31.9 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.647 0.261 . . . . 0.0 110.42 -176.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.57 124.51 36.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.121 0.486 . . . . 0.0 110.259 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.411 HD13 HD12 ' A' ' 67' ' ' LEU . 12.9 tp -124.84 114.35 19.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.997 -176.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.496 ' HA ' ' HA ' ' A' ' 91' ' ' SER . 19.4 m -99.82 121.24 41.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.176 0.512 . . . . 0.0 111.08 -175.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.3 p -118.15 138.23 49.51 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.658 0 CA-C-O 121.861 0.838 . . . . 0.0 110.493 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 19.3 ttt -106.42 129.62 54.37 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.616 -175.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.472 ' CZ ' HD11 ' A' ' 45' ' ' ILE . 26.7 p90 -153.59 178.85 9.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.434 -176.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.771 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 17.4 mtt180 -105.83 110.42 22.71 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.64 0.257 . . . . 0.0 110.476 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CD1' HG11 ' A' ' 33' ' ' VAL . 3.3 t80 -84.89 136.74 33.51 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.742 ' HG2' ' HA ' ' A' ' 83' ' ' GLN . 36.8 ttt180 -83.17 106.72 15.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.234 0.54 . . . . 0.0 111.148 179.126 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.505 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 29.7 t -53.94 166.54 0.35 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.105 170.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.441 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 23.9 tptp -65.23 -10.53 32.59 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.359 0.599 . . . . 0.0 110.354 177.09 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -90.97 -1.43 57.82 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.742 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 27.8 mm-40 65.94 27.72 10.75 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 113.687 -1.597 . . . . 0.0 110.853 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.608 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 34.3 mm-40 -91.43 164.12 13.94 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.573 171.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.468 ' CG ' ' HD2' ' A' ' 50' ' ' HIS . 73.2 m95 -117.81 88.35 2.9 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.463 -173.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.489 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.2 pp -93.96 168.58 10.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.43 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -88.65 130.97 35.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.269 0.556 . . . . 0.0 110.876 -176.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.532 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 1.4 ttp -141.7 132.49 25.76 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.844 173.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -107.56 111.25 23.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.574 0.702 . . . . 0.0 109.392 174.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.8 m -96.58 130.35 43.78 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.948 -177.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.496 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 47.6 m -95.2 128.05 41.73 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.588 ' OG ' HG11 ' A' ' 64' ' ' VAL . 9.2 t -103.1 156.54 17.62 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.476 0.655 . . . . 0.0 110.686 -176.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 70.9 t80 -151.91 135.34 16.05 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.391 -1.277 . . . . 0.0 108.338 176.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.796 HG21 ' HA ' ' A' ' 65' ' ' VAL . 1.3 p -102.43 106.38 17.11 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 120.996 0.426 . . . . 0.0 110.321 177.052 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.485 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 18.1 t80 -69.86 111.86 5.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.133 -175.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.569 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 47.9 mt-30 -99.18 141.71 31.6 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.077 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -67.54 115.42 26.79 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 170.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.436 ' HG2' ' CE2' ' A' ' 99' ' ' TYR . 20.3 Cg_endo -62.17 -6.55 8.35 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 123.028 2.485 . . . . 0.0 113.456 -175.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.436 ' CE2' ' HG2' ' A' ' 98' ' ' PRO . 63.4 m-85 -124.12 4.22 8.59 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.547 0.202 . . . . 0.0 111.547 -177.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.8 t -144.64 -13.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.975 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 68.47 1.19 2.85 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.569 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 44.9 mt-10 -67.51 151.82 46.71 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.467 0.175 . . . . 0.0 110.629 179.083 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.87 HD11 ' HG2' ' A' ' 68' ' ' LYS . 61.5 mt -98.85 114.98 38.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.504 0.669 . . . . 0.0 109.992 173.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -69.65 -48.35 60.17 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.19 -1.368 . . . . 0.0 109.424 -177.854 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -172.94 173.38 3.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.249 -176.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.5 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 44.6 mt -97.95 140.2 18.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 59.8 mt -112.79 108.85 26.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.0 p -106.47 117.46 34.1 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.237 0.541 . . . . 0.0 111.303 -176.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.0 m -93.66 120.43 33.92 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 173.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.532 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 35.4 m-80 -104.99 110.23 22.54 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -170.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 54.3 m -103.8 114.0 27.93 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.455 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.465 ' HB2' HG23 ' A' ' 32' ' ' THR . 46.2 t30 -74.54 110.56 8.94 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -87.17 -112.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -178.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -89.95 167.1 13.07 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.282 0.563 . . . . 0.0 110.512 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.795 ' HB3' ' HB3' ' A' ' 119' ' ' GLU . 32.7 t-20 -118.07 145.7 44.64 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.463 -178.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.6 t -90.49 -35.19 15.24 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.971 -169.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.9 p -165.5 37.68 0.06 Allowed 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -173.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -172.24 43.05 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.309 0.576 . . . . 0.0 110.518 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.795 ' HB3' ' HB3' ' A' ' 115' ' ' ASN . 10.3 pt-20 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.602 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 112.026 -0.429 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.537 ' HB3' ' HB2' ' A' ' 37' ' ' PRO . . . -64.69 103.52 0.7 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.328 0.585 . . . . 0.0 111.279 179.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.664 ' HA ' ' HB3' ' A' ' 36' ' ' GLN . 53.6 ttm -157.85 137.46 12.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.775 -175.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 67.37 80.39 0.21 Allowed 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.089 0.868 . . . . 0.0 110.455 -178.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.483 ' O ' HG21 ' A' ' 30' ' ' VAL . 11.3 m120 -129.6 130.31 45.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.008 -174.42 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.528 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 24.3 t -137.08 89.3 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.392 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 6' ' ' VAL . 12.5 t 172.58 38.56 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.425 0.631 . . . . 0.0 109.393 173.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.652 ' HB3' ' HA ' ' A' ' 28' ' ' ARG . 82.3 mm-40 -121.06 148.39 48.85 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.641 -172.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.852 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 22.9 Cg_exo -66.16 164.64 27.05 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.246 2.63 . . . . 0.0 111.688 172.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.54 34.09 0.76 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.512 0.672 . . . . 0.0 111.376 -175.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 26.9 tt0 -142.82 134.18 26.2 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 173.11 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -128.04 143.16 51.07 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.955 -178.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.1 mt -97.22 126.91 49.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.258 174.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.7 p -136.3 145.44 45.52 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.428 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.536 ' HD2' ' CE1' ' A' ' 105' ' ' TYR . 72.7 mtm180 -119.96 129.75 54.46 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.656 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 1.7 p-80 -134.82 162.39 32.51 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.144 0.497 . . . . 0.0 111.722 -174.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.27 154.2 39.06 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.5 pt -49.43 -27.61 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -168.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -73.23 -15.57 61.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.992 0.425 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.6 14.57 19.37 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.244 -176.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.6 mm -91.53 117.32 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 -175.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.457 ' CD2' ' HG ' ' A' ' 40' ' ' LEU . 88.4 m-85 -67.07 135.33 53.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.006 0.431 . . . . 0.0 111.729 -176.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.2 t -122.87 -28.39 4.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.08 177.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -139.8 121.84 15.71 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.481 176.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.7 t -124.72 133.72 68.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.239 178.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -83.58 148.92 26.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.395 0.617 . . . . 0.0 110.998 176.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.539 ' O ' HG22 ' A' ' 30' ' ' VAL . 51.9 m80 -48.56 -27.05 2.51 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 114.749 -1.114 . . . . 0.0 113.808 -174.077 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.852 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 77.7 mtt85 -61.78 -11.27 11.61 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -176.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 27.8 t -62.43 -33.32 74.57 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.761 0.315 . . . . 0.0 111.494 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 27' ' ' HIS . 30.3 m -60.35 -43.27 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.972 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.426 ' N ' HG23 ' A' ' 30' ' ' VAL . . . -74.54 -49.7 20.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.784 -176.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.2 m -53.26 -47.54 69.02 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.613 HG11 ' CD2' ' A' ' 78' ' ' PHE . 15.8 m -135.81 -29.15 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -173.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.405 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 112.94 -0.61 25.7 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 119.558 -1.306 . . . . 0.0 113.237 -178.185 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.546 ' H ' HG23 ' A' ' 33' ' ' VAL . 17.9 m-85 -90.49 114.78 27.04 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.12 175.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.664 ' HB3' ' HA ' ' A' ' 3' ' ' MET . 0.3 OUTLIER -68.06 144.55 97.09 Favored Pre-proline 0 C--N 1.31 -1.145 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 173.909 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.731 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 59.7 Cg_exo -41.6 -44.75 6.35 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.766 2.311 . . . . 0.0 113.528 -174.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 2' ' ' ALA . 27.8 mm-40 -59.94 -42.79 94.78 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.884 0.373 . . . . 0.0 111.067 178.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -73.24 -2.59 22.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.795 -172.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.457 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 15.1 tp -111.74 -25.48 9.47 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.894 0.378 . . . . 0.0 110.476 177.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.731 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 85.1 mt -62.24 130.5 45.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.563 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.34 -21.9 42.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.548 174.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -108.39 155.67 20.29 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.628 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 8.0 t-20 -81.77 147.01 29.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 -175.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.472 HG13 ' HE1' ' A' ' 78' ' ' PHE . 12.4 tt -59.68 -38.35 75.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.379 174.133 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.546 ' HA ' ' HB2' ' A' ' 49' ' ' CYS . 97.8 t -67.16 -23.2 30.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.059 -176.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.628 ' HG3' ' HB3' ' A' ' 44' ' ' ASN . 43.4 mt-10 -67.71 -32.16 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.268 0.556 . . . . 0.0 109.993 178.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -104.49 20.25 18.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.034 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.546 ' HB2' ' HA ' ' A' ' 46' ' ' VAL . 46.1 m -109.57 129.73 55.56 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.775 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.408 ' ND1' ' HD2' ' A' ' 51' ' ' PRO . 57.9 t60 -49.44 125.01 15.31 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.29 -177.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.408 ' HD2' ' ND1' ' A' ' 50' ' ' HIS . 85.4 Cg_exo -49.62 -24.28 9.24 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 124.174 3.249 . . . . 0.0 114.864 -174.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -85.93 -8.06 58.26 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 122.26 -0.275 . . . . 0.0 111.244 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -112.91 7.98 18.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.033 0.444 . . . . 0.0 110.374 -176.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.512 ' HG2' HG13 ' A' ' 46' ' ' VAL . 74.9 mt-30 -70.06 -31.3 68.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.914 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.29 -46.23 81.23 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.2 mt -51.64 -50.55 60.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.803 173.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.47 HD11 ' SG ' ' A' ' 49' ' ' CYS . 96.2 mt -61.01 -41.52 96.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.148 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 83.6 mtt180 -55.69 -60.5 3.36 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.175 0.512 . . . . 0.0 110.047 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.503 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 11.3 t70 -58.3 -46.32 86.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.918 -173.519 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 65.6 p -68.19 -50.32 55.02 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.378 0.608 . . . . 0.0 111.041 -175.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.581 ' O ' HG23 ' A' ' 65' ' ' VAL . 12.5 m-30 -65.2 -37.55 87.66 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.103 -176.021 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 3.5 pt20 -77.08 -30.23 55.36 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.047 0.451 . . . . 0.0 110.463 -177.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 59' ' ' ASP . 93.7 mt-30 -78.95 -30.64 44.69 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.087 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' A' ' 92' ' ' SER . 9.9 p -72.87 -23.6 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.221 176.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.719 ' HA ' HG21 ' A' ' 94' ' ' THR . 79.8 t -69.81 -33.9 58.13 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 170.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -76.32 -32.42 58.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.455 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.63 HD12 HD13 ' A' ' 72' ' ' LEU . 47.0 mt -91.42 30.11 1.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.772 -178.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.613 ' HG2' HD11 ' A' ' 103' ' ' ILE . 99.4 mttt -31.26 115.45 0.14 Allowed 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -179.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.9 -16.37 55.99 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.162 -0.927 . . . . 0.0 112.351 176.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.462 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 45.8 mt-30 -99.73 137.55 38.04 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.544 ' HA ' ' O ' ' A' ' 92' ' ' SER . 41.5 t -83.96 128.04 39.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.003 178.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.63 HD13 HD12 ' A' ' 67' ' ' LEU . 10.6 tp -114.95 123.0 47.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.061 -177.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.9 t -96.04 122.23 38.64 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.881 0.372 . . . . 0.0 111.023 -174.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.6 p -132.4 136.8 55.64 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.596 0 CA-C-O 121.725 0.774 . . . . 0.0 110.378 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 23.8 ttt -110.93 129.91 55.74 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.578 -174.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.458 ' HE1' ' HG1' ' A' ' 90' ' ' THR . 32.4 p90 -154.08 178.92 9.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.725 -174.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 45.1 mtm180 -111.33 130.13 55.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.127 0.489 . . . . 0.0 111.2 178.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.613 ' CD2' HG11 ' A' ' 33' ' ' VAL . 10.5 t80 -105.86 146.61 29.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.594 -174.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -82.0 102.96 11.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.064 0.459 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.405 ' HB3' ' CG ' ' A' ' 84' ' ' GLU . 38.8 t -56.78 165.82 1.11 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.062 171.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.405 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 21.6 tptp -67.81 -9.05 41.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.702 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -98.96 6.94 46.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.765 178.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 68.57 19.5 8.64 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.319 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.405 ' CG ' ' HB3' ' A' ' 80' ' ' SER . 11.7 pt-20 -95.93 155.15 16.87 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.441 ' O ' ' HD2' ' A' ' 77' ' ' ARG . 75.2 m95 -116.18 97.95 6.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.957 0.408 . . . . 0.0 110.542 -172.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.549 HD11 HG12 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -97.43 168.05 10.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.704 -175.038 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.435 ' HD1' ' H ' ' A' ' 116' ' ' SER . 58.3 m95 -89.63 123.65 33.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.864 -175.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 9.3 ptp -137.03 150.66 48.23 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.297 171.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 89' ' ' ARG . 39.2 ttm180 -118.36 114.31 22.74 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 176.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.458 ' HG1' ' HE1' ' A' ' 76' ' ' PHE . 36.4 m -94.86 134.75 37.15 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.678 -175.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.4 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 14.6 m -92.55 116.76 29.29 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.976 174.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.544 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 5.9 m -93.59 130.9 39.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.465 -174.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -135.53 135.42 40.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.587 173.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.719 HG21 ' HA ' ' A' ' 65' ' ' VAL . 2.4 p -104.96 113.17 26.6 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.458 176.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -75.2 126.16 30.44 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 -176.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -101.29 137.74 39.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.362 0.601 . . . . 0.0 112.112 -171.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.488 ' HB3' ' HG3' ' A' ' 102' ' ' GLU . 39.6 t-20 -72.45 108.65 4.57 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 114.787 -1.097 . . . . 0.0 108.19 167.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.421 ' HG2' ' CE1' ' A' ' 99' ' ' TYR . 25.1 Cg_endo -61.63 -4.45 4.5 Favored 'Trans proline' 0 N--CA 1.476 0.46 0 C-N-CA 123.301 2.667 . . . . 0.0 114.103 -171.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.421 ' CE1' ' HG2' ' A' ' 98' ' ' PRO . 66.4 m-85 -111.13 -14.01 13.94 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 122.308 -0.245 . . . . 0.0 111.452 -178.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.0 t -137.74 -2.36 1.94 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 120.545 -0.462 . . . . 0.0 112.131 -174.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 55.79 18.33 2.88 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.488 ' HG3' ' HB3' ' A' ' 97' ' ' ASN . 1.1 pp20? -92.04 159.25 15.8 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.123 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.687 HD12 ' HB ' ' A' ' 94' ' ' THR . 47.2 mm -97.81 115.63 38.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.734 0.302 . . . . 0.0 110.236 -173.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.426 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 5.9 pt-20 -74.08 -39.46 63.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.324 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.536 ' CE1' ' HD2' ' A' ' 15' ' ' ARG . 15.1 p90 -165.07 165.89 19.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.544 178.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.656 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 50.5 mt -104.8 141.53 20.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.442 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 62.0 mt -112.24 112.3 39.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.447 ' HG ' ' CE1' ' A' ' 16' ' ' HIS . 2.0 p -105.26 109.32 21.26 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.357 0.598 . . . . 0.0 110.959 -178.351 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.6 m -89.52 114.68 26.25 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 172.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -106.3 111.44 24.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.844 0.354 . . . . 0.0 110.233 -170.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.1 m -109.13 113.43 26.27 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.86 -176.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -82.45 131.64 35.22 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.414 ' HB ' ' H ' ' A' ' 114' ' ' LYS . 11.2 t -115.11 -89.63 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.492 -176.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.414 ' H ' ' HB ' ' A' ' 113' ' ' VAL . 56.7 mtpt -91.07 176.24 6.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.792 -179.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -124.1 33.43 5.29 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.325 0.583 . . . . 0.0 111.052 -173.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.435 ' H ' ' HD1' ' A' ' 87' ' ' TRP . 9.0 t 60.06 26.5 15.85 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.653 173.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.6 t 60.85 23.81 13.81 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.394 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -79.04 8.05 6.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.398 0.618 . . . . 0.0 110.556 177.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--O 1.248 0.996 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.69 175.144 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 111.794 -0.522 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 71.34 173.4 0.31 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.179 0.592 . . . . 0.0 110.989 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.3 mtm 59.75 -166.54 0.18 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.232 -175.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.4 t70 60.39 84.43 0.12 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.595 0.712 . . . . 0.0 111.104 175.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -114.41 155.59 26.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.941 -174.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.473 HG22 ' SG ' ' A' ' 7' ' ' CYS . 13.7 p -172.25 137.75 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 O-C-N 123.17 0.294 . . . . 0.0 110.874 178.316 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.473 ' SG ' HG22 ' A' ' 6' ' ' VAL . 63.7 m 62.17 58.69 1.76 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.148 0.499 . . . . 0.0 111.793 175.397 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.656 ' HG2' ' HB2' ' A' ' 31' ' ' ALA . 5.2 pm0 -119.01 141.67 30.65 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.812 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.82 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 23.7 Cg_exo -65.58 163.44 30.1 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.329 2.686 . . . . 0.0 111.974 175.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.5 m -83.9 10.6 9.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.606 0.717 . . . . 0.0 111.207 -174.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.651 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 8.5 pt-20 -126.42 134.36 51.02 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 173.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.437 ' CB ' ' HB2' ' A' ' 28' ' ' ARG . 37.9 p90 -119.88 143.05 48.14 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.296 -177.033 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.3 mt -93.55 115.06 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.067 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.4 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . 47.9 t -108.11 132.32 53.71 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.744 -174.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.479 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 7.6 mpt_? -105.41 113.77 27.55 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 173.41 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.406 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -140.51 151.49 44.83 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.059 -174.007 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -77.02 158.9 30.29 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.517 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 35.3 pt -49.99 -28.4 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -167.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.578 ' HB2' HG12 ' A' ' 21' ' ' ILE . 39.1 mt-10 -70.01 -13.54 62.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.83 0.348 . . . . 0.0 111.046 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.99 7.8 46.36 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -174.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.578 HG12 ' HB2' ' A' ' 19' ' ' GLU . 29.1 mm -86.55 124.23 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 -173.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CD2' ' HG ' ' A' ' 40' ' ' LEU . 90.8 m-85 -72.17 127.57 32.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.821 0.344 . . . . 0.0 111.484 -176.062 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 p -112.05 -35.2 5.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.041 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.479 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 70.8 t80 -144.67 121.84 11.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 0.0 110.113 177.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.426 ' HB ' ' HA ' ' A' ' 37' ' ' PRO . 90.4 t -122.23 137.73 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.939 0.4 . . . . 0.0 110.989 -177.158 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.606 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 11.6 t70 -81.42 149.23 28.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.75 176.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.5 ' O ' HG22 ' A' ' 30' ' ' VAL . 28.9 m170 -52.58 -20.71 3.19 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.82 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 90.5 mtt180 -57.47 -18.13 16.86 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.1 t -54.6 -35.01 62.91 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -176.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 27' ' ' HIS . 19.7 m -68.13 -31.39 51.53 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-O 120.888 0.375 . . . . 0.0 111.076 -178.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.656 ' HB2' ' HG2' ' A' ' 8' ' ' GLN . . . -72.9 -51.91 16.76 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.672 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.523 HG22 HG13 ' A' ' 33' ' ' VAL . 9.2 m -62.11 -56.07 22.55 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.586 HG11 ' CD1' ' A' ' 78' ' ' PHE . 16.6 m -136.78 22.91 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -170.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 75.35 -26.58 1.27 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 114.863 0.705 . . . . 0.0 114.863 172.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -70.91 146.04 49.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 117.58 0.69 . . . . 0.0 111.37 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.48 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -89.53 150.43 44.36 Favored Pre-proline 0 C--N 1.316 -0.869 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 172.464 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.757 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 84.9 Cg_exo -44.58 -51.2 7.4 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.347 2.032 . . . . 0.0 112.202 -178.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -54.94 -46.77 75.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.495 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.48 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 7.1 mm-40 -66.59 -22.38 66.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.782 -172.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.594 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 14.5 tp -90.45 -31.88 16.63 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.244 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.757 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 74.4 mt -60.41 120.39 9.8 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.94 -18.89 23.72 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.685 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.751 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -99.62 155.29 17.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.901 0.381 . . . . 0.0 110.62 178.746 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -90.69 144.06 26.11 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 170.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.49 HD11 ' HZ ' ' A' ' 76' ' ' PHE . 13.2 tt -57.89 -30.17 37.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.045 0.45 . . . . 0.0 110.031 175.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.488 HG13 ' HG2' ' A' ' 54' ' ' GLN . 95.4 t -61.66 -32.86 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.356 175.324 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.8 -35.29 80.13 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.09 0.472 . . . . 0.0 111.165 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -105.37 17.04 24.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.113 178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 53' ' ' ASP . 38.9 t -94.44 132.83 38.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.782 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.465 ' HB3' ' OD2' ' A' ' 53' ' ' ASP . 60.5 t60 -45.01 126.18 5.37 Favored Pre-proline 0 CA--C 1.53 0.184 0 O-C-N 123.879 0.737 . . . . 0.0 110.189 174.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.405 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 86.2 Cg_exo -49.36 -25.44 10.15 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 124.001 3.134 . . . . 0.0 114.929 -170.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -84.98 -10.35 57.12 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.48 -178.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.465 ' OD2' ' HB3' ' A' ' 50' ' ' HIS . 38.3 m-20 -109.0 -5.04 16.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.732 0.301 . . . . 0.0 110.333 -172.011 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.488 ' HG2' HG13 ' A' ' 46' ' ' VAL . 75.9 mt-30 -59.46 -38.78 81.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.985 0.422 . . . . 0.0 111.799 -176.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -38.43 78.85 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.4 tt -61.89 -43.24 99.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.513 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.76 -41.67 95.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.895 176.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.512 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 69.6 mtt85 -58.26 -50.79 72.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.916 0.388 . . . . 0.0 110.278 178.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.68 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 29.5 t70 -63.59 -39.45 94.42 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.179 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.0 p -65.06 -43.83 91.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.511 0.672 . . . . 0.0 110.239 -175.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 65' ' ' VAL . 11.6 m-85 -68.27 -40.48 81.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.658 -179.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.554 ' HG2' ' HA ' ' A' ' 59' ' ' ASP . 7.5 pt20 -73.94 -29.26 61.92 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.681 -177.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.68 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 76.3 mm-40 -63.72 -44.81 92.47 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.831 176.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 61' ' ' PHE . 9.4 p -69.68 -24.25 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.662 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 61' ' ' PHE . 81.3 t -71.09 -32.09 46.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.452 0.644 . . . . 0.0 109.688 173.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -74.02 -38.54 64.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.228 174.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.524 ' HB3' ' HB3' ' A' ' 70' ' ' GLN . 93.1 mt -71.47 -55.63 7.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.47 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.519 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 98.4 mttt 58.6 98.39 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.613 0.72 . . . . 0.0 112.247 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.45 -20.4 37.36 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.37 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.524 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 6.8 tp60 -90.32 133.55 34.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 92' ' ' SER . 44.5 t -76.52 117.79 21.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.038 0.446 . . . . 0.0 109.95 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.489 HD23 ' CD1' ' A' ' 67' ' ' LEU . 1.1 tm? -106.0 115.52 30.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.491 -175.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.3 p -89.42 122.25 32.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.795 0.331 . . . . 0.0 110.753 -178.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 p -118.74 130.27 73.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.274 0.559 . . . . 0.0 110.478 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 3.9 ttt -109.03 124.42 50.71 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.984 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.49 ' HZ ' HD11 ' A' ' 45' ' ' ILE . 15.4 p90 -160.07 179.0 9.12 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.078 -174.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.601 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 37.1 mtt180 -106.8 126.28 52.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.972 0.415 . . . . 0.0 111.272 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.586 ' CD1' HG11 ' A' ' 33' ' ' VAL . 4.4 t80 -103.95 144.05 32.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.371 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.588 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 4.3 ttm180 -81.43 107.18 13.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.026 0.441 . . . . 0.0 111.41 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.475 ' HB3' ' HB2' ' A' ' 84' ' ' GLU . 28.4 t -59.5 163.26 4.24 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.295 169.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.4 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 26.5 tptp -68.09 -10.78 56.62 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.424 176.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -94.5 6.79 47.73 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 177.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 64.02 34.03 11.72 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.576 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.588 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 16.0 mm-40 -90.01 173.65 8.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.122 -0.944 . . . . 0.0 109.02 170.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.456 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 73.0 m95 -139.78 87.25 2.15 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.265 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.601 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -97.27 160.24 14.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.296 0.569 . . . . 0.0 112.267 -171.785 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -78.97 122.2 25.87 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.874 -178.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 10.0 ptp -133.94 143.8 48.42 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.877 175.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.8 110.15 21.98 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.031 173.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' A' ' 109' ' ' THR . 69.2 m -94.79 130.65 41.25 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.86 178.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.606 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 12.7 p -93.55 126.44 38.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.733 176.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 4.6 m -103.36 128.89 50.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.825 0.345 . . . . 0.0 111.327 -176.009 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.42 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 35.0 t80 -133.89 135.4 43.62 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.327 172.036 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.704 ' HB ' HD12 ' A' ' 103' ' ' ILE . 30.3 p -94.15 108.74 20.57 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.488 177.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.42 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 3.1 t80 -77.97 98.83 5.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.165 0.507 . . . . 0.0 109.782 -177.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.734 ' HG2' HD13 ' A' ' 103' ' ' ILE . 52.5 mt-30 -90.97 132.44 35.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.538 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.439 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 25.0 t-20 -70.54 124.78 91.48 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.095 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.435 ' HG2' ' CD2' ' A' ' 99' ' ' TYR . 31.1 Cg_endo -64.01 -10.61 23.68 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 123.037 2.492 . . . . 0.0 113.497 -172.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.435 ' CD2' ' HG2' ' A' ' 98' ' ' PRO . 88.3 m-85 -119.63 -5.71 10.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.563 0.221 . . . . 0.0 111.453 -177.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.439 ' HB2' ' HB3' ' A' ' 97' ' ' ASN . 17.3 m -123.33 -18.7 6.17 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.341 -177.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 68.82 -10.94 0.46 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.572 0.749 . . . . 0.0 112.776 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -83.94 165.31 18.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.836 0.35 . . . . 0.0 110.744 -177.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.734 HD13 ' HG2' ' A' ' 96' ' ' GLN . 11.6 mm -91.42 105.23 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.183 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.86 -35.09 79.24 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.066 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.458 ' HE1' HD11 ' A' ' 107' ' ' ILE . 6.9 p90 -173.74 169.62 4.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.842 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.517 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 53.3 mt -98.57 143.79 12.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.278 177.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.458 HD11 ' HE1' ' A' ' 105' ' ' TYR . 34.0 mm -110.1 115.77 50.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.606 ' HA ' ' O ' ' A' ' 91' ' ' SER . 67.8 m -129.04 127.16 40.99 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.026 0.441 . . . . 0.0 111.595 -175.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.522 ' O ' ' HA ' ' A' ' 90' ' ' THR . 24.5 m -99.01 125.72 44.55 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 172.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -105.21 110.77 23.26 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -175.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.3 m -109.3 110.03 21.09 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.169 -173.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -81.09 114.02 19.66 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.3 t -87.99 -99.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.449 -174.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.12 176.37 10.54 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.477 0.179 . . . . 0.0 111.382 177.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 67.23 140.29 0.03 OUTLIER 'General case' 0 C--O 1.235 0.335 0 O-C-N 124.292 0.995 . . . . 0.0 110.981 -177.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.589 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 50.1 m 67.8 11.45 8.38 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.3 m -102.83 119.59 39.11 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.291 178.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.496 ' HB2' ' HG3' ' A' ' 84' ' ' GLU . 7.3 tp-100 -88.65 0.41 56.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.814 0.34 . . . . 0.0 110.993 -174.01 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.605 -0.712 . . . . 0.0 110.175 -179.784 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.551 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.423 ' HB3' ' NE2' ' A' ' 38' ' ' GLN . . . -155.88 -63.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.046 -0.091 . . . . 0.0 110.795 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 54.1 mtm 56.21 -101.4 0.13 Allowed 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.244 0.34 . . . . 0.0 110.263 -175.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.2 t70 47.29 69.04 0.55 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 124.002 0.814 . . . . 0.0 111.673 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -154.47 147.07 24.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.72 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -136.31 -39.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.225 0.536 . . . . 0.0 112.147 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.3 t -145.9 105.77 4.0 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.892 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.5 ' HB3' ' HA ' ' A' ' 28' ' ' ARG . 85.3 mm-40 -120.32 154.57 56.37 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.791 -178.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HG2' ' NH1' ' A' ' 28' ' ' ARG . 37.8 Cg_exo -59.56 153.59 54.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.617 2.211 . . . . 0.0 111.222 170.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.43 16.2 3.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.13 0.491 . . . . 0.0 111.783 -171.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -125.02 134.64 52.49 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 173.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -129.07 144.31 51.15 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.719 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.588 HG12 HG23 ' A' ' 109' ' ' THR . 62.4 mt -100.35 126.6 53.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.207 176.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.6 p -132.54 146.69 52.11 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.192 0.52 . . . . 0.0 110.81 -177.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.557 ' HG2' HG12 ' A' ' 107' ' ' ILE . 55.3 mtm180 -119.7 132.07 55.56 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -141.45 149.44 40.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.373 -170.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -71.7 158.4 36.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.395 -178.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.8 pt -50.47 -26.66 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 -167.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -75.57 -10.61 59.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.873 0.368 . . . . 0.0 111.385 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.9 8.46 36.69 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 116.02 -0.537 . . . . 0.0 112.034 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.6 mm -84.81 117.05 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 120.374 0.131 . . . . 0.0 111.215 -172.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.503 ' CE2' ' HB ' ' A' ' 45' ' ' ILE . 96.0 m-85 -68.61 128.31 36.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.9 0.381 . . . . 0.0 111.319 -177.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 t -117.71 -25.86 6.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.588 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -142.07 123.94 15.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.345 177.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.427 ' CG1' ' HB2' ' A' ' 29' ' ' CYS . 92.7 t -136.12 137.27 48.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 120.696 0.284 . . . . 0.0 110.968 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -82.76 149.37 27.28 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 174.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.605 ' HA ' ' CG ' ' A' ' 37' ' ' PRO . 47.2 m80 -56.47 -14.98 3.46 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.969 0.908 . . . . 0.0 113.209 -171.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.5 ' HA ' ' HB3' ' A' ' 8' ' ' GLN . 36.4 mtt-85 -64.96 -12.96 55.71 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.893 0.377 . . . . 0.0 110.593 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.427 ' HB2' ' CG1' ' A' ' 25' ' ' VAL . 42.2 t -50.97 -38.67 52.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.316 176.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.582 HG12 ' HA ' ' A' ' 36' ' ' GLN . 3.9 m -65.08 -34.11 68.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.721 -176.134 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.23 -51.24 9.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.744 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 m -58.6 -54.28 48.88 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 177.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.682 ' O ' ' HA ' ' A' ' 80' ' ' SER . 9.7 m -121.08 -15.4 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -169.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.32 -35.97 4.59 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 119.213 -1.47 . . . . 0.0 113.101 177.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.544 ' H ' HG23 ' A' ' 33' ' ' VAL . 23.7 m-85 -71.02 143.75 50.66 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.939 0.399 . . . . 0.0 109.937 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.582 ' HA ' HG12 ' A' ' 30' ' ' VAL . 32.9 mm-40 -74.68 147.15 84.2 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 175.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.648 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 76.2 Cg_exo -48.6 -51.29 10.59 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 121.745 1.63 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.423 ' NE2' ' HB3' ' A' ' 2' ' ' ALA . 28.1 mp0 -53.48 -46.6 70.05 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.209 -1.36 . . . . 0.0 112.194 175.336 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.501 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 24.1 mm-40 -61.51 -30.75 70.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.987 0.423 . . . . 0.0 110.788 -177.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 tp -83.45 -28.73 28.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.706 -177.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 79.4 mt -58.5 119.8 7.67 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.675 -179.001 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.84 -12.5 56.28 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.037 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.788 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -102.82 157.67 16.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.867 0.365 . . . . 0.0 110.468 178.407 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.6 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 13.1 t-20 -92.19 144.86 24.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.626 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.503 ' HB ' ' CE2' ' A' ' 22' ' ' PHE . 14.2 tt -62.96 -25.84 39.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.479 176.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.5 p -74.46 -23.12 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.747 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.6 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 59.9 mm-40 -63.59 -36.31 83.37 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.411 0.625 . . . . 0.0 109.915 177.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -111.04 18.23 19.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.363 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 39.3 t -89.04 138.09 31.73 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.682 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.583 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 55.7 t60 -48.81 123.6 11.99 Favored Pre-proline 0 C--N 1.334 -0.1 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.799 172.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -49.62 -27.25 14.34 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 124.134 3.223 . . . . 0.0 114.467 -172.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -88.48 -6.45 57.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -114.23 -1.36 13.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.333 . . . . 0.0 110.113 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -65.94 -39.05 90.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.481 -175.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.523 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 22.9 tm0? -73.03 -33.74 65.9 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.08 -41.72 93.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.103 176.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 57' ' ' LEU . 24.8 mt -64.06 -40.27 95.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.819 175.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.523 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 41.8 mtt180 -51.11 -61.41 2.24 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.341 0.591 . . . . 0.0 110.489 175.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.517 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 40.5 t0 -58.28 -41.09 83.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.392 -1.277 . . . . 0.0 111.131 -174.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m -75.79 -37.2 59.42 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.546 -175.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.56 ' O ' HG12 ' A' ' 64' ' ' VAL . 11.1 m-30 -72.26 -36.47 69.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.921 0.391 . . . . 0.0 110.472 -178.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 13.3 pt20 -71.04 -27.99 64.05 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.052 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 59' ' ' ASP . 73.9 mt-30 -71.01 -33.54 70.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.9 177.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 61' ' ' PHE . 7.3 p -73.91 -25.43 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.002 176.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.579 ' HA ' HG21 ' A' ' 94' ' ' THR . 67.4 t -71.95 -28.05 29.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.392 0.615 . . . . 0.0 109.382 171.276 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 28.3 mtpp -78.08 -38.24 44.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.988 176.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.561 ' HB3' ' HB3' ' A' ' 70' ' ' GLN . 58.6 mt -73.05 -53.03 12.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.457 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.573 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 93.7 mttt 60.39 90.06 0.06 Allowed 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.803 0.689 . . . . 0.0 112.188 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.13 -22.02 21.45 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.044 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.561 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 56.2 tp60 -94.14 140.9 29.17 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 92' ' ' SER . 7.3 p -77.23 124.55 35.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.32 0.581 . . . . 0.0 110.894 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -109.67 118.94 37.89 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 p -95.74 120.88 36.78 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.083 0.468 . . . . 0.0 110.789 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.431 HG21 HD23 ' A' ' 57' ' ' LEU . 6.3 p -124.21 131.64 72.55 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.643 0 CA-C-O 121.749 0.785 . . . . 0.0 110.529 178.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 10.0 ttt -107.91 120.72 43.07 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.78 -176.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CZ ' HD11 ' A' ' 45' ' ' ILE . 11.1 p90 -148.66 178.46 8.62 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -175.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.583 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 62.9 mtt180 -111.72 120.85 43.4 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.589 177.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.667 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 3.3 t80 -86.17 148.54 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.7 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 33.8 ttp180 -84.77 109.33 17.99 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.558 177.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.682 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 31.4 t -57.09 166.13 1.15 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.771 174.261 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -65.3 -8.36 17.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.797 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -103.18 5.97 38.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.551 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 16.6 mp0 70.19 52.33 0.37 Allowed 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 122.69 1.233 . . . . 0.0 108.504 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.7 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -121.5 161.69 21.84 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 112.707 -2.042 . . . . 0.0 109.346 -171.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.401 ' CZ3' ' HA ' ' A' ' 50' ' ' HIS . 57.8 m95 -122.71 92.1 3.64 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.468 0.651 . . . . 0.0 111.23 -173.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.641 HD23 ' NE2' ' A' ' 118' ' ' GLN . 0.3 OUTLIER -102.77 159.27 15.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.495 -176.67 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -85.22 130.38 34.62 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -174.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.667 ' SD ' ' HB2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -145.38 140.26 27.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.253 168.351 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -100.92 118.72 37.5 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 171.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.488 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 84.8 m -96.4 132.01 42.36 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.888 -178.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.4 m -90.25 115.08 27.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.436 174.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.452 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 2.7 m -95.76 131.42 42.07 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.551 -176.018 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.481 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 58.7 t80 -137.81 134.46 35.2 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.579 HG21 ' HA ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -95.62 112.23 24.0 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.065 0.46 . . . . 0.0 110.086 177.067 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.481 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 0.8 OUTLIER -79.88 95.03 5.95 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.297 0.57 . . . . 0.0 111.005 -171.787 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.519 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 23.6 mt-30 -89.38 124.17 34.2 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.215 171.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -49.92 121.59 13.0 Favored Pre-proline 0 C--N 1.327 -0.386 0 O-C-N 123.992 0.808 . . . . 0.0 109.567 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -57.96 -19.04 38.11 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 123.16 2.573 . . . . 0.0 113.252 -175.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -122.15 19.51 10.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.813 0.34 . . . . 0.0 111.419 -175.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.2 m -148.79 -15.63 0.31 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 56.87 25.76 10.84 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.754 0.822 . . . . 0.0 113.112 176.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.519 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 11.4 pt-20 -110.61 158.5 18.5 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.144 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 54.5 mt -93.59 124.69 46.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.033 0.444 . . . . 0.0 110.614 -176.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.466 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 6.0 pt-20 -88.03 -39.07 14.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.218 176.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -173.85 -172.32 0.73 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.857 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 36.1 mt -107.59 148.74 11.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.677 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.557 HG12 ' HG2' ' A' ' 15' ' ' ARG . 57.8 mt -113.82 133.04 61.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.411 ' HB2' ' CG2' ' A' ' 90' ' ' THR . 6.1 p -137.38 119.6 15.64 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.389 0.614 . . . . 0.0 111.888 -177.421 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.588 HG23 HG12 ' A' ' 13' ' ' ILE . 6.8 m -94.64 136.23 35.19 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 171.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -121.91 110.54 15.98 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.219 -171.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 32.5 m -105.64 123.0 47.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.615 -176.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -76.92 121.02 22.85 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.405 ' HB ' ' H ' ' A' ' 114' ' ' LYS . 5.5 t -86.49 -112.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.405 ' H ' ' HB ' ' A' ' 113' ' ' VAL . 38.4 mtpt -138.04 173.06 12.03 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.27 -0.269 . . . . 0.0 111.519 -175.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 63.09 102.81 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 160.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.438 ' HB3' ' HA ' ' A' ' 86' ' ' LEU . 83.9 p -163.29 -71.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.173 166.127 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.0 t -168.03 27.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.432 0.634 . . . . 0.0 109.582 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.641 ' NE2' HD23 ' A' ' 86' ' ' LEU . 66.0 mm-40 -80.22 -31.14 38.62 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.104 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 . . . . . 0 C--O 1.248 1.007 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.826 178.149 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.635 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 37.4 Cg_exo . . . . . 0 CA--C 1.533 0.45 0 CA-C-O 120.645 0.186 . . . . 0.0 111.824 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -90.23 25.91 2.06 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.381 0.61 . . . . 0.0 111.525 -175.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.636 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 34.0 tt0 -134.93 134.9 41.1 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 172.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -131.65 159.43 38.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.188 0.518 . . . . 0.0 111.636 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.9 mm -117.94 135.91 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.455 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.7 m -140.62 143.06 35.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.969 0.414 . . . . 0.0 111.434 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -99.66 126.04 45.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 174.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.656 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -140.95 149.49 41.9 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.469 -0.892 . . . . 0.0 112.859 -175.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.812 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 2.6 t-20 -62.86 146.94 51.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 113.733 -1.576 . . . . 0.0 109.319 173.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.414 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 27.1 pt -56.58 -21.75 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -170.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -84.68 2.1 43.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.308 0.575 . . . . 0.0 110.357 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.82 5.04 45.12 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.807 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.812 ' HB ' ' HB3' ' A' ' 17' ' ' ASN . 43.8 mm -78.94 115.12 20.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 CA-C-N 116.874 0.337 . . . . 0.0 110.982 -173.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 93.0 m-85 -69.84 121.72 17.83 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.111 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 m -100.39 -38.26 8.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.406 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -146.96 128.24 14.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.195 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.586 HG21 ' HB2' ' A' ' 40' ' ' LEU . 85.5 t -124.87 136.88 59.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.585 -177.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -82.8 148.17 27.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.084 175.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -56.37 -15.71 4.49 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 -171.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.636 ' HD2' ' O ' ' A' ' 11' ' ' GLU . 84.6 mtm180 -64.75 -5.86 6.74 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 8.9 p -61.19 -35.28 76.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.437 176.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.9 t -68.2 -41.66 84.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.827 -176.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.56 -50.37 38.15 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.432 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.6 m -60.04 -55.06 38.63 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.517 HG11 ' CD1' ' A' ' 78' ' ' PHE . 11.5 m -137.69 26.48 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -170.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.71 -23.3 0.52 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 114.578 0.591 . . . . 0.0 114.578 173.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.462 ' HD1' ' HD3' ' A' ' 81' ' ' LYS . 10.7 m-30 -73.66 147.04 44.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.344 0.592 . . . . 0.0 110.827 -172.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -89.36 159.14 45.08 Favored Pre-proline 0 C--N 1.311 -1.104 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.616 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 52.9 Cg_exo -51.79 -46.52 31.58 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 121.605 1.537 . . . . 0.0 110.549 178.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.419 ' CD ' ' H ' ' A' ' 38' ' ' GLN . 24.2 mp0 -56.11 -37.12 68.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.233 -1.349 . . . . 0.0 111.504 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -63.14 -32.61 74.03 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.968 -172.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.586 ' HB2' HG21 ' A' ' 25' ' ' VAL . 3.0 mm? -85.59 -30.35 23.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.444 -178.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 55.3 mt -61.62 107.03 0.74 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.059 0.457 . . . . 0.0 111.575 -172.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.21 -5.49 33.89 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.135 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.887 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 11.0 mmpt? -106.82 154.08 21.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.632 0.253 . . . . 0.0 110.834 -179.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.614 ' HB3' HG12 ' A' ' 46' ' ' VAL . 10.0 m120 -84.0 137.21 33.72 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 170.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.497 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 13.9 tt -59.17 -20.46 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.159 0.505 . . . . 0.0 110.165 172.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.614 HG12 ' HB3' ' A' ' 44' ' ' ASN . 8.7 p -76.57 -15.49 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.589 ' HG3' ' HB2' ' A' ' 44' ' ' ASN . 46.1 mt-10 -74.21 -34.89 63.85 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.316 0.579 . . . . 0.0 109.926 176.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -101.33 11.78 38.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.235 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.421 ' SG ' ' HA ' ' A' ' 54' ' ' GLN . 52.5 t -89.51 139.17 30.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.409 177.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.886 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 17.4 t-80 -48.78 123.91 12.13 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.441 174.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.491 ' HA ' ' HG3' ' A' ' 54' ' ' GLN . 10.0 Cg_endo -52.56 -18.99 9.34 Favored 'Trans proline' 0 N--CA 1.478 0.565 0 C-N-CA 123.866 3.044 . . . . 0.0 114.662 -173.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -94.31 -6.41 44.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.15 -0.344 . . . . 0.0 111.383 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -124.25 3.66 8.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.862 0.363 . . . . 0.0 110.303 -175.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.491 ' HG3' ' HA ' ' A' ' 51' ' ' PRO . 79.0 mt-30 -63.6 -39.68 95.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.049 0.452 . . . . 0.0 110.615 -177.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -72.29 -32.74 66.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.461 176.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.5 tp -59.35 -44.26 92.68 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.283 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.432 HD21 ' CD1' ' A' ' 76' ' ' PHE . 14.5 mt -61.69 -46.41 89.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.551 174.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.576 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 66.4 ttt180 -56.92 -54.01 51.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.476 -177.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -55.44 -44.98 76.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.282 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.0 m -73.5 -35.32 65.62 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.306 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.47 ' O ' HG12 ' A' ' 64' ' ' VAL . 6.5 m-30 -66.36 -34.6 78.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.296 0.57 . . . . 0.0 109.793 177.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 16.8 mm100 -65.55 -36.19 83.07 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.74 176.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -73.85 -32.71 63.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.609 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 61' ' ' PHE . 10.5 p -69.49 -29.2 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.529 175.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 61' ' ' PHE . 55.2 t -74.76 -21.5 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.374 0.607 . . . . 0.0 109.781 173.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.558 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 56.2 mtpt -79.46 -45.45 19.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.54 174.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 72' ' ' LEU . 73.6 mt -68.42 -50.86 49.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.005 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.476 ' HB3' ' OE1' ' A' ' 96' ' ' GLN . 97.3 mttt 61.93 98.46 0.03 OUTLIER 'General case' 0 C--O 1.236 0.386 0 O-C-N 123.988 0.805 . . . . 0.0 112.299 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.89 -17.91 53.55 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.277 176.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.445 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 5.8 tp-100 -91.8 137.61 32.22 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 92' ' ' SER . 4.6 p -76.69 120.54 27.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-O 121.45 0.643 . . . . 0.0 109.777 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 67' ' ' LEU . 16.0 tp -117.45 116.03 26.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.431 -175.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.414 ' HB2' ' HD2' ' A' ' 89' ' ' ARG . 59.3 p -89.38 125.21 35.05 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.08 0.467 . . . . 0.0 111.104 -174.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.7 p -126.01 133.27 69.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.527 0.68 . . . . 0.0 109.929 174.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.7 ttt -112.76 127.57 56.19 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.322 -173.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.432 ' CD1' HD21 ' A' ' 57' ' ' LEU . 11.7 p90 -152.28 179.22 8.72 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.299 -173.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.886 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 75.6 mtt180 -104.97 116.41 31.91 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 176.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.517 ' CD1' HG11 ' A' ' 33' ' ' VAL . 8.6 t80 -90.37 136.52 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.715 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 43.9 ttp180 -82.9 102.59 11.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.151 0.5 . . . . 0.0 110.815 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.717 ' HB3' ' HG2' ' A' ' 84' ' ' GLU . 48.4 t -62.64 175.17 0.84 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.866 174.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.462 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 44.7 tptt -70.81 3.08 3.49 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.438 0.637 . . . . 0.0 110.768 -178.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -106.94 7.07 29.77 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.503 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 2.3 mp0 61.69 31.77 18.53 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.138 -1.392 . . . . 0.0 109.816 176.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.717 ' HG2' ' HB3' ' A' ' 80' ' ' SER . 15.6 pt-20 -100.13 160.18 14.52 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 113.747 -1.57 . . . . 0.0 109.343 177.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.53 ' CH2' ' HD3' ' A' ' 79' ' ' ARG . 59.7 m95 -116.76 84.25 2.11 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.359 0.599 . . . . 0.0 110.306 -176.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.55 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -90.44 160.69 15.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.168 -176.071 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -85.83 112.31 20.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.281 0.563 . . . . 0.0 111.721 -173.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.619 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 1.4 ttp -125.94 139.32 53.54 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.532 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.414 ' HD2' ' HB2' ' A' ' 73' ' ' SER . 51.6 ttp180 -108.26 118.32 36.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.852 175.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.1 m -95.02 124.49 39.09 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.492 176.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.517 ' HB2' ' HB ' ' A' ' 109' ' ' THR . 68.1 m -92.0 118.71 31.04 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 172.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 6.3 m -91.51 132.9 35.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.891 -171.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -138.82 135.67 34.83 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.363 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.599 ' HB ' HD13 ' A' ' 103' ' ' ILE . 32.3 p -105.52 115.72 30.73 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 176.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -77.89 105.2 8.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.02 0.438 . . . . 0.0 109.946 -177.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.476 ' OE1' ' HB3' ' A' ' 68' ' ' LYS . 54.4 mt-30 . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.141 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.599 HD13 ' HB ' ' A' ' 94' ' ' THR . 90.8 mt . . . . . 0 CA--C 1.514 -0.408 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.469 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 5.6 pt-20 -82.95 -41.13 19.19 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.984 177.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -164.37 168.3 18.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.693 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.656 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 55.9 mt -99.39 147.57 7.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 174.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.6 mt -109.96 115.59 50.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 54.7 m -90.01 102.8 15.51 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.816 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.517 ' HB ' ' HB2' ' A' ' 91' ' ' SER . 46.9 m -90.09 109.63 20.68 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 168.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.619 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 6.0 m-20 -112.65 110.66 20.94 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.995 0.426 . . . . 0.0 110.865 -169.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.1 m -112.95 115.53 28.56 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.942 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -85.49 125.88 33.39 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.262 -175.913 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo . . . . . 0 CA--C 1.53 0.305 0 CA-C-O 120.763 0.235 . . . . 0.0 112.116 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.57 6.66 9.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.69 -176.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.801 ' HG2' ' HA ' ' A' ' 111' ' ' THR . 45.9 mt-10 -110.61 134.77 52.11 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 173.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -116.07 134.62 54.75 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.447 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 13' ' ' ILE . 4.5 mp -105.98 127.65 60.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.196 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.2 m -140.07 148.23 41.46 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.521 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -105.44 122.58 46.29 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.563 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.4 OUTLIER -131.33 152.62 50.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.72 0.771 . . . . 0.0 112.464 -172.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.61 148.81 51.12 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 113.596 -1.638 . . . . 0.0 109.656 178.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.2 pt -52.68 -21.48 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -170.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -87.12 -3.59 59.08 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.936 0.398 . . . . 0.0 110.783 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.79 13.79 28.78 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.916 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.3 mm -91.14 123.78 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 116.961 0.381 . . . . 0.0 111.039 -175.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.43 ' HE2' ' HA ' ' A' ' 45' ' ' ILE . 96.7 m-85 -74.65 120.33 20.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.888 0.375 . . . . 0.0 110.925 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.6 p -110.08 -30.41 7.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.079 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -139.07 119.84 14.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.195 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.8 t -127.5 135.94 61.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.748 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -89.21 150.93 22.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.158 0.504 . . . . 0.0 110.602 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.447 ' O ' HG22 ' A' ' 30' ' ' VAL . 72.9 m80 -54.63 -15.21 1.65 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -171.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -62.15 -12.06 17.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.967 0.413 . . . . 0.0 110.82 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 32.5 t -50.61 -40.04 51.7 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.954 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 27' ' ' HIS . 19.4 m -67.21 -34.38 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 111.612 -175.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.82 -51.9 29.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.681 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.439 HG23 ' HB2' ' A' ' 112' ' ' ASN . 3.3 m -69.13 -53.86 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.733 HG12 ' HE1' ' A' ' 88' ' ' MET . 18.4 m -123.75 9.76 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -168.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.2 -30.38 1.61 Allowed Glycine 0 CA--C 1.523 0.556 0 C-N-CA 120.666 -0.778 . . . . 0.0 113.94 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.471 ' HD1' ' HD3' ' A' ' 81' ' ' LYS . 22.9 m-85 -70.9 147.75 48.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.273 0.558 . . . . 0.0 111.276 -174.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.641 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 75.8 mm-40 -79.79 146.95 65.57 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 169.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.694 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 88.1 Cg_exo -46.48 -46.32 17.58 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 121.996 1.798 . . . . 0.0 111.357 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -54.94 -49.85 70.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.416 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.641 ' HG3' ' HB2' ' A' ' 36' ' ' GLN . 37.3 mt-10 -62.18 -29.23 70.22 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.948 -175.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 tp -83.89 -28.94 27.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.5 -177.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 75.1 mt -62.6 106.63 0.81 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.053 0.454 . . . . 0.0 110.913 178.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.91 -13.15 12.99 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.207 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.77 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -99.38 152.72 19.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.841 0.353 . . . . 0.0 110.276 177.287 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.585 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 9.4 t-20 -86.77 141.7 28.67 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 173.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.437 HG12 ' SG ' ' A' ' 49' ' ' CYS . 13.2 tt -55.95 -42.04 69.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.576 176.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.5 t -63.07 -25.02 37.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 122.842 0.457 . . . . 0.0 111.701 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.585 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 35.2 mm-40 -68.56 -29.6 68.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.48 0.657 . . . . 0.0 110.324 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -100.84 13.23 35.69 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.083 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.437 ' SG ' HG12 ' A' ' 45' ' ' ILE . 75.3 m -105.93 120.9 42.94 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.239 172.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.587 ' CD2' ' HB2' ' A' ' 77' ' ' ARG . 7.7 p80 -62.21 153.26 75.78 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.001 0.429 . . . . 0.0 111.195 -172.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 50' ' ' HIS . 33.8 Cg_exo -47.0 -54.16 5.35 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 124.329 3.353 . . . . 0.0 115.179 -160.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 1.9 pm0 -78.86 -4.93 52.1 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -170.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -102.25 -6.2 23.42 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.05 0.452 . . . . 0.0 109.943 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -65.96 -34.64 78.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.775 -177.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -66.58 -40.06 88.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.747 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.6 mt -57.17 -50.62 72.25 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.437 175.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.1 mt -62.81 -38.79 92.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.646 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.583 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 94.7 mtt180 -57.33 -58.84 6.5 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.785 176.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.628 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 9.0 t70 -61.46 -43.15 99.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.73 -176.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 63' ' ' GLN . 79.1 p -70.55 -41.69 72.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.231 0.538 . . . . 0.0 111.383 -174.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.47 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.0 m-85 -61.85 -35.23 77.67 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.948 174.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 32.1 mm-40 -65.39 -38.35 89.71 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 174.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.628 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 34.4 mm-40 -58.45 -48.88 79.3 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.34 179.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.644 HG11 ' OG ' ' A' ' 92' ' ' SER . 10.2 p -69.21 -25.32 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.191 -177.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.636 ' HA ' HG21 ' A' ' 94' ' ' THR . 57.0 t -71.71 -42.9 70.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.831 0.348 . . . . 0.0 110.202 177.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -77.52 -18.9 56.57 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.633 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 37.5 mt -73.65 -56.9 4.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.924 174.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.785 ' HG2' HD11 ' A' ' 103' ' ' ILE . 98.6 mttt 62.12 96.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.267 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.44 -6.34 57.59 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.927 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.514 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 27.6 mm-40 -103.09 137.99 40.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.591 0.234 . . . . 0.0 110.663 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 92' ' ' SER . 60.5 t -77.33 123.82 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.186 178.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -113.78 121.2 43.33 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -177.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.3 m -100.0 121.67 41.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.991 0.424 . . . . 0.0 110.905 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.4 p -134.23 136.67 52.96 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.752 0 CA-C-O 121.51 0.672 . . . . 0.0 110.214 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.6 ttt -113.06 134.08 54.69 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.751 -172.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.455 ' HE1' ' OG1' ' A' ' 90' ' ' THR . 30.0 p90 -155.61 179.77 8.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.482 -174.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.587 ' HB2' ' CD2' ' A' ' 50' ' ' HIS . 14.6 mtt180 -112.75 122.86 48.89 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 177.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.434 ' HD2' ' CE2' ' A' ' 76' ' ' PHE . 6.8 t80 -100.44 151.46 21.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.838 -175.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -90.29 115.57 27.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.633 0.254 . . . . 0.0 110.681 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.48 ' HB3' ' CG ' ' A' ' 84' ' ' GLU . 32.4 t -74.17 179.42 4.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.954 0.407 . . . . 0.0 111.038 177.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.471 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 22.2 tptm -68.37 -10.78 57.43 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.345 0.593 . . . . 0.0 110.304 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -99.08 6.74 46.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.673 -177.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 64.59 21.64 12.47 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.77 -178.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.48 ' CG ' ' HB3' ' A' ' 80' ' ' SER . 10.4 pt-20 -92.28 158.1 16.3 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.395 174.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.495 ' CE3' ' HB3' ' A' ' 50' ' ' HIS . 94.8 m95 -114.94 107.29 15.2 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.831 0.348 . . . . 0.0 110.404 -177.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -109.22 155.44 21.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.008 0.433 . . . . 0.0 111.868 -178.056 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -84.36 127.0 33.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.941 -176.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.733 ' HE1' HG12 ' A' ' 33' ' ' VAL . 18.1 ptp -145.39 150.47 36.61 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.23 0.538 . . . . 0.0 111.098 174.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -105.96 123.59 48.23 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.046 176.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 109' ' ' THR . 49.6 m -94.24 125.44 38.88 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.277 0.56 . . . . 0.0 110.702 175.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.2 m -96.05 112.28 24.06 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 172.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.644 ' OG ' HG11 ' A' ' 64' ' ' VAL . 7.0 t -94.7 156.14 16.54 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.593 0.711 . . . . 0.0 110.616 -175.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.495 ' HB3' ' HB ' ' A' ' 107' ' ' ILE . 60.2 t80 -155.95 134.14 11.44 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.206 -1.361 . . . . 0.0 107.877 175.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.641 ' HB ' HD13 ' A' ' 103' ' ' ILE . 2.5 p -104.17 108.43 19.81 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.158 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -76.48 110.51 11.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.926 -172.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.576 ' NE2' ' HD3' ' A' ' 68' ' ' LYS . 70.6 mt-30 . . . . . 0 N--CA 1.447 -0.624 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.611 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.785 HD11 ' HG2' ' A' ' 68' ' ' LYS . 89.3 mt . . . . . 0 CA--C 1.511 -0.531 0 CA-C-O 121.441 0.639 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.465 ' HG2' ' H ' ' A' ' 104' ' ' GLU . 3.7 pt-20 -76.55 -39.8 51.7 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.079 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.44 ' CD2' ' HG3' ' A' ' 104' ' ' GLU . 22.4 p90 -166.06 168.16 15.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.985 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.563 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 45.8 mt -98.88 145.63 9.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.778 175.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.495 ' HB ' ' HB3' ' A' ' 93' ' ' PHE . 52.4 mt -100.17 122.99 52.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 9.9 t -110.59 99.18 8.2 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.029 -174.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' A' ' 90' ' ' THR . 25.7 m -103.24 122.41 44.7 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 174.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 11' ' ' GLU . 4.1 m-20 -118.56 116.01 25.75 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.509 -172.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.801 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 23.1 m -94.92 119.49 33.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.925 -178.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.439 ' HB2' HG23 ' A' ' 32' ' ' THR . 2.9 t-20 -79.22 110.43 14.48 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.323 -0.574 0 CA-C-O 121.199 0.523 . . . . 0.0 110.095 -178.427 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.638 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 23.7 Cg_exo . . . . . 0 N--CA 1.464 -0.223 0 N-CA-C 110.885 -0.467 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.49 ' HB ' ' HB3' ' A' ' 112' ' ' ASN . 12.7 p -87.34 31.43 0.74 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.462 0.649 . . . . 0.0 111.909 -174.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 40.0 tt0 -131.31 132.93 44.88 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 168.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -137.62 142.02 41.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.024 0.44 . . . . 0.0 110.524 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.9 tt -94.68 137.97 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.397 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.2 p -136.84 135.8 38.23 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.624 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.484 ' HG2' HG12 ' A' ' 107' ' ' ILE . 91.1 mtt180 -112.17 133.63 54.19 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.592 ' HB3' ' HA ' ' A' ' 22' ' ' PHE . 1.6 p-80 -148.2 165.77 29.93 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.494 0.664 . . . . 0.0 112.531 -173.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.61 153.15 35.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.643 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.542 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 42.6 pt -50.83 -30.71 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -167.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -69.98 -17.18 63.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.728 0.299 . . . . 0.0 111.029 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.81 12.95 13.3 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.218 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.2 mm -90.85 110.36 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.612 0.206 . . . . 0.0 110.567 -175.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.62 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 97.8 m-85 -68.6 135.08 50.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.96 0.41 . . . . 0.0 111.938 -173.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 p -118.54 -21.24 8.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.162 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -147.12 122.72 10.46 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.643 176.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 40' ' ' LEU . 94.2 t -130.89 136.81 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.777 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.404 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 13.1 t70 -86.29 148.22 25.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.176 0.513 . . . . 0.0 110.907 177.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.4 ' O ' HG22 ' A' ' 30' ' ' VAL . 56.7 m80 -50.89 -22.08 2.03 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.607 -1.179 . . . . 0.0 113.857 -175.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.638 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 74.4 mtt180 -66.01 -5.83 10.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.929 0.395 . . . . 0.0 111.714 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 18.8 p -63.77 -36.54 84.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.478 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 27' ' ' HIS . 32.8 m -63.0 -31.31 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 120.954 0.407 . . . . 0.0 110.941 -177.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.16 -51.95 8.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.706 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.446 HG23 ' HB2' ' A' ' 112' ' ' ASN . 2.7 m -60.13 -51.51 69.29 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 80' ' ' SER . 22.1 m -130.48 5.67 2.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -168.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.06 -34.39 3.23 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.08 -1.057 . . . . 0.0 113.696 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -72.12 144.68 48.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.957 0.408 . . . . 0.0 111.222 -175.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -89.38 162.77 35.99 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.694 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 82.0 Cg_exo -46.98 -51.8 8.74 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.248 1.965 . . . . 0.0 112.327 -178.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -62.02 -38.96 90.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.591 -178.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.93 -36.45 72.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.754 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.588 ' HG ' ' CD1' ' A' ' 22' ' ' PHE . 10.1 tp -88.77 -20.86 24.2 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.741 -174.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 64.1 mt -70.33 95.54 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.672 178.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 130.39 -25.95 4.21 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.934 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -107.79 136.15 48.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.915 0.388 . . . . 0.0 110.275 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.571 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 31.5 t-20 -73.33 143.85 46.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.068 -173.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.62 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 15.2 tt -61.76 -26.45 39.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.53 175.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.2 t -75.44 -24.63 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.481 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.571 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 40.9 mm-40 -68.42 -27.67 66.4 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.433 0.635 . . . . 0.0 109.724 175.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -108.38 14.0 25.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.24 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.585 ' SG ' HD12 ' A' ' 57' ' ' LEU . 20.5 t -89.53 132.9 34.84 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.014 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 25.4 t-80 -44.77 123.17 4.79 Favored Pre-proline 0 C--O 1.225 -0.21 0 O-C-N 123.786 0.679 . . . . 0.0 109.212 173.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.409 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 87.1 Cg_exo -49.03 -27.68 12.41 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.834 3.022 . . . . 0.0 114.432 -173.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -90.42 -5.14 56.47 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 122.369 -0.207 . . . . 0.0 111.368 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -109.69 -5.53 15.6 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -174.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.409 ' OE1' ' HA ' ' A' ' 51' ' ' PRO . 44.2 mt-30 -64.28 -36.62 84.68 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.576 -173.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -70.36 -37.75 74.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.288 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tt -62.2 -48.28 80.72 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.585 HD12 ' SG ' ' A' ' 49' ' ' CYS . 13.9 mt -61.92 -41.77 98.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.554 175.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.479 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 71.1 ttt180 -57.07 -53.06 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.748 0.309 . . . . 0.0 110.196 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.63 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 5.2 t0 -59.29 -48.32 82.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.589 -179.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.6 m -70.31 -33.52 71.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.237 -172.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.508 ' O ' HG23 ' A' ' 65' ' ' VAL . 12.4 m-30 -67.75 -38.37 83.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.874 ' HA ' HE21 ' A' ' 62' ' ' GLN . 0.0 OUTLIER -65.16 -38.86 91.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.607 175.516 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.63 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 84.2 mm-40 -58.8 -52.04 67.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.661 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.495 HG11 ' HB3' ' A' ' 92' ' ' SER . 13.6 p -65.59 -29.41 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.13 -177.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.586 ' HA ' HG21 ' A' ' 94' ' ' THR . 81.7 t -69.5 -28.39 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.357 0.598 . . . . 0.0 110.03 176.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -82.53 -32.86 28.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.325 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 90.4 mt -70.72 -52.52 20.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.808 178.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.622 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 97.1 mttt 57.48 93.48 0.03 OUTLIER 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.677 0.751 . . . . 0.0 112.188 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.35 -24.11 16.61 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.275 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.482 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 6.3 tp-100 -86.28 129.26 34.91 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -178.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 92' ' ' SER . 51.8 t -77.7 110.87 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.658 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.432 HD13 ' CD1' ' A' ' 67' ' ' LEU . 15.4 tp -101.09 129.68 47.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.546 -173.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.3 m -90.25 121.81 32.61 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.787 0.327 . . . . 0.0 110.395 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.519 HG21 HD23 ' A' ' 57' ' ' LEU . 7.6 p -129.42 131.78 67.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.597 0.713 . . . . 0.0 110.1 174.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.3 ttt -113.72 131.42 56.19 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.168 -174.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.462 ' HE1' ' OG1' ' A' ' 90' ' ' THR . 8.0 p90 -160.07 178.73 9.39 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.922 -175.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.697 ' HB3' ' HB3' ' A' ' 85' ' ' TRP . 45.4 mtt180 -106.37 117.07 33.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.876 0.369 . . . . 0.0 111.014 176.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.54 ' O ' HD12 ' A' ' 86' ' ' LEU . 9.4 t80 -92.36 135.03 34.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.433 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 1.7 ttm180 -77.96 109.24 11.84 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.246 177.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.982 ' HB3' HD11 ' A' ' 86' ' ' LEU . 72.0 p -68.24 178.77 1.78 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.222 0.534 . . . . 0.0 111.347 176.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -75.39 1.84 12.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.127 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -108.49 8.86 27.53 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 68.34 11.74 8.47 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 114.486 -1.234 . . . . 0.0 112.115 177.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -101.11 149.8 23.59 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.697 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 22.4 m95 -103.52 105.4 15.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.215 -170.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.982 HD11 ' HB3' ' A' ' 80' ' ' SER . 0.0 OUTLIER -92.25 160.39 15.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.593 -174.631 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -88.69 118.22 28.22 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.013 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.451 ' HE1' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -132.05 144.94 51.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.074 174.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -104.45 110.32 22.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.653 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.462 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 75.8 m -94.5 131.43 40.23 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.627 -175.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 20.9 m -91.29 118.03 30.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.628 175.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.495 ' HB3' HG11 ' A' ' 64' ' ' VAL . 6.1 m -96.28 129.62 43.56 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.73 -177.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 85.3 t80 -139.46 135.76 33.9 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.689 174.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.717 ' HB ' HD12 ' A' ' 103' ' ' ILE . 38.6 p -104.66 109.07 20.85 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.534 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 3.5 t80 -73.38 105.03 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.939 0.399 . . . . 0.0 110.804 -173.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.612 ' HG2' HD13 ' A' ' 103' ' ' ILE . 55.2 mt-30 . . . . . 0 C--N 1.321 -0.653 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.231 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.717 HD12 ' HB ' ' A' ' 94' ' ' THR . 35.0 mm . . . . . 0 C--O 1.234 0.247 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -66.86 -43.45 83.56 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -177.9 177.7 1.04 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.521 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.563 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 58.6 mt -101.57 143.78 14.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 176.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.484 HG12 ' HG2' ' A' ' 15' ' ' ARG . 62.0 mt -119.78 112.82 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.426 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 87.5 m -114.36 111.78 22.02 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.611 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 90' ' ' THR . 26.0 m -87.65 131.46 34.44 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 173.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.497 ' O ' ' HA ' ' A' ' 11' ' ' GLU . 43.1 m-80 -118.12 112.8 20.66 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.491 -171.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.6 m -105.5 121.32 43.7 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.476 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.49 ' HB3' ' HB ' ' A' ' 10' ' ' THR . 3.8 t-20 -82.12 122.59 28.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 19.0 t . . . . . 0 C--N 1.32 -0.701 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.616 -177.572 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo . . . . . 0 N--CA 1.472 0.251 0 CA-C-O 120.614 0.173 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.11 6.93 23.53 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -174.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -100.13 143.54 30.21 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 172.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -142.16 152.79 43.53 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.288 -0.965 . . . . 0.0 111.496 173.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.5 mm -112.56 128.42 69.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.092 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.5 m -141.86 150.26 41.34 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.038 0.447 . . . . 0.0 111.024 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -112.15 125.82 54.54 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -139.5 145.42 38.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.008 -177.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.638 ' OD1' ' HB ' ' A' ' 21' ' ' ILE . 23.9 p-10 -79.98 171.23 15.38 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -177.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.9 pt -56.89 -30.01 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -162.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.2 -1.15 39.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.16 0.505 . . . . 0.0 110.435 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.01 27.25 14.11 Favored Glycine 0 N--CA 1.439 -1.116 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.737 177.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.638 ' HB ' ' OD1' ' A' ' 17' ' ' ASN . 39.0 mm -95.63 119.36 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 117.228 0.514 . . . . 0.0 110.206 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.616 ' CE1' ' HB ' ' A' ' 45' ' ' ILE . 95.6 m-85 -79.35 123.88 27.9 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.907 0.384 . . . . 0.0 111.267 -176.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.1 p -105.13 -27.04 11.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.918 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -142.28 125.02 15.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.17 176.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.424 ' HB ' ' HB3' ' A' ' 37' ' ' PRO . 95.7 t -128.13 133.93 66.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -76.25 149.49 37.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.527 0.68 . . . . 0.0 110.991 175.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -54.51 -26.4 31.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.688 -1.142 . . . . 0.0 113.139 -171.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.5 mtt85 -70.61 -2.24 13.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.254 0.346 . . . . 0.0 111.806 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.4 t -56.99 -35.82 69.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.032 0.444 . . . . 0.0 110.476 174.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.595 HG12 ' HA ' ' A' ' 36' ' ' GLN . 5.1 m -70.72 -27.83 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.38 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.62 -50.1 19.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.815 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.704 HG21 HD21 ' A' ' 110' ' ' ASN . 7.7 m -68.26 -54.03 20.41 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 179.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.545 HG11 ' CD1' ' A' ' 78' ' ' PHE . 30.4 m -129.13 21.24 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -168.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 81' ' ' LYS . . . 72.63 -29.79 0.73 Allowed Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.889 -0.672 . . . . 0.0 114.521 174.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -71.46 138.17 48.81 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.271 0.558 . . . . 0.0 111.243 -175.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.595 ' HA ' HG12 ' A' ' 30' ' ' VAL . 54.0 mm-40 -76.42 152.87 83.78 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.805 173.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.729 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 82.7 Cg_exo -47.83 -48.38 16.22 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 121.827 1.685 . . . . 0.0 110.898 174.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -56.16 -44.37 79.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.018 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.438 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 9.8 mm-40 -59.46 -33.13 70.91 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.155 -176.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.507 ' HG ' ' CD1' ' A' ' 22' ' ' PHE . 12.3 tp -89.3 -25.06 21.86 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.061 -174.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.729 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 79.1 mt -62.78 112.17 2.43 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.205 0.526 . . . . 0.0 111.432 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.13 -10.71 37.03 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.667 177.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.436 ' HD3' ' HZ ' ' A' ' 48' ' ' PHE . 64.6 mttp -105.33 159.72 15.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.141 0.496 . . . . 0.0 110.987 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.509 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 15.7 m120 -89.06 130.43 35.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.685 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.616 ' HB ' ' CE1' ' A' ' 22' ' ' PHE . 13.0 tt -60.15 -24.62 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.324 174.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.7 t -70.3 -31.1 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.76 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.509 ' HG2' ' HB2' ' A' ' 44' ' ' ASN . 26.4 mm-40 -71.87 -31.12 66.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.11 0.481 . . . . 0.0 110.317 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.436 ' HZ ' ' HD3' ' A' ' 43' ' ' LYS . 71.1 m-85 -96.82 6.02 49.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.3 176.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 52.5 t -89.38 139.25 30.7 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.629 175.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 40.0 t-80 -44.55 125.61 4.86 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.849 175.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -50.53 -29.24 24.06 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 124.014 3.143 . . . . 0.0 114.298 -171.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -89.77 -5.25 57.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.96 0.409 . . . . 0.0 111.342 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -116.29 5.57 13.63 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -63.76 -47.62 80.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.52 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -66.93 -32.15 73.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.58 176.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -59.57 -46.53 88.65 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.443 HD21 ' CD1' ' A' ' 76' ' ' PHE . 11.3 mt -63.63 -49.76 72.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.008 175.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.601 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 74.7 ttt180 -52.16 -56.66 13.15 Favored 'General case' 0 CA--C 1.519 -0.234 0 O-C-N 123.41 0.444 . . . . 0.0 110.634 -177.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.759 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 29.6 t70 -55.27 -50.35 69.74 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.981 -179.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 m -68.19 -31.77 71.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.18 -171.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.469 ' O ' HG23 ' A' ' 65' ' ' VAL . 15.9 m-30 -70.89 -36.2 72.64 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.722 -0.474 . . . . 0.0 109.722 174.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.601 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 83.1 mm-40 -66.0 -36.74 84.1 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 176.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.759 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 20.2 mm-40 -61.7 -45.04 95.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.334 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.583 HG11 ' OG ' ' A' ' 92' ' ' SER . 14.5 p -70.87 -26.38 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.74 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.562 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 58.9 t -71.88 -27.84 28.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.339 0.59 . . . . 0.0 109.711 173.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 66.0 mttm -85.16 -22.98 28.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.255 175.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.712 HD11 HD23 ' A' ' 72' ' ' LEU . 35.8 mt -76.04 -52.48 10.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.621 175.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 96.7 mttt 49.08 80.54 0.06 Allowed 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.969 0.793 . . . . 0.0 111.798 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.58 -35.26 2.44 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.627 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.486 ' HB2' HD13 ' A' ' 67' ' ' LEU . 23.0 mt-30 -93.95 144.3 25.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -177.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.4 t -77.98 127.19 38.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.394 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.712 HD23 HD11 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -117.56 114.8 23.96 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.609 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.466 ' HA ' ' O ' ' A' ' 90' ' ' THR . 49.1 m -104.47 120.3 40.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.329 0.585 . . . . 0.0 110.715 -175.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.3 p -115.64 137.39 49.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.459 -177.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.4 ttt -111.23 126.47 54.91 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.732 -174.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.443 ' CD1' HD21 ' A' ' 57' ' ' LEU . 15.8 p90 -156.72 179.0 9.69 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.483 -172.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.678 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 64.7 mtp180 -109.7 114.11 27.43 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.174 0.511 . . . . 0.0 110.877 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.545 ' CD1' HG11 ' A' ' 33' ' ' VAL . 2.9 t80 -92.68 136.56 33.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.068 -176.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.515 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 21.9 ttm180 -79.12 119.16 21.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.484 0.659 . . . . 0.0 111.357 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.5 t -73.94 166.83 22.66 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.193 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.444 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . 48.3 tptt -69.39 -9.45 53.57 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.825 175.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -97.91 7.0 47.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 62.97 32.63 15.46 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.944 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.515 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 43.2 mt-10 -90.68 161.29 15.44 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.62 172.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -124.87 80.56 1.88 Allowed 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.678 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.1 pp -85.26 161.97 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.507 0.67 . . . . 0.0 112.213 -171.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.458 ' CZ2' ' HD2' ' A' ' 77' ' ' ARG . 89.2 m95 -94.2 117.58 30.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.01 -176.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 14.8 ptp -132.49 147.21 52.36 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.579 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -108.59 112.96 25.59 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 173.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 109' ' ' THR . 88.6 m -94.09 124.33 38.03 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.68 -178.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.6 m -91.39 120.3 32.13 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 176.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.583 ' OG ' HG11 ' A' ' 64' ' ' VAL . 7.9 t -96.33 157.11 16.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.563 0.696 . . . . 0.0 110.973 -173.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -158.54 134.83 9.27 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.306 -1.316 . . . . 0.0 108.256 175.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.502 HG22 HG12 ' A' ' 106' ' ' ILE . 73.9 p -107.45 108.24 19.49 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.115 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.44 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 2.4 t80 -72.33 118.82 15.7 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.455 ' NE2' ' HD3' ' A' ' 68' ' ' LYS . 51.0 mt-30 . . . . . 0 C--N 1.32 -0.705 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.688 -174.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.461 HD13 ' HB ' ' A' ' 94' ' ' THR . 76.7 mt . . . . . 0 N--CA 1.446 -0.656 0 CA-C-O 121.401 0.62 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -73.11 -46.04 53.57 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.852 177.799 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -168.15 157.06 9.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.453 -1.249 . . . . 0.0 109.588 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.502 HG12 HG22 ' A' ' 94' ' ' THR . 66.8 mt -92.57 142.97 12.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 174.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 61.7 mt -111.55 106.42 20.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.9 p -98.0 112.57 24.46 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.183 0.516 . . . . 0.0 111.312 -173.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 90' ' ' THR . 47.1 m -86.31 127.65 34.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.449 174.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.704 HD21 HG21 ' A' ' 32' ' ' THR . 5.6 t30 -103.14 117.55 34.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.818 -0.174 . . . . 0.0 110.978 -177.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.3 m -115.66 104.54 11.79 Favored 'General case' 0 N--CA 1.444 -0.747 0 O-C-N 124.244 0.965 . . . . 0.0 108.962 171.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -82.68 122.65 28.42 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.843 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.05 -178.085 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo . . . . . 0 CA--C 1.532 0.375 0 N-CA-C 113.449 0.519 . . . . 0.0 113.449 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.12 22.24 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.583 0.706 . . . . 0.0 110.618 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -133.87 133.71 41.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.354 176.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -133.8 141.22 47.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.226 0.536 . . . . 0.0 111.193 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.1 mt -100.11 132.69 45.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.493 175.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.9 p -136.56 149.25 47.99 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.229 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -109.63 134.84 51.48 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.625 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 1.4 p-80 -142.44 158.57 43.55 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.855 -178.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -74.49 151.89 39.47 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.41 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 20.7 pt -49.93 -26.62 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -166.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -74.24 -10.02 59.19 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.79 7.56 33.55 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.578 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.444 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 30.3 mm -85.25 118.55 32.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 110.577 -0.157 . . . . 0.0 110.577 -173.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -67.26 123.85 21.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 111.421 -176.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 p -107.51 -32.3 7.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.805 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -150.53 132.99 15.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.619 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.415 ' O ' ' HB3' ' A' ' 37' ' ' PRO . 90.6 t -129.55 138.48 54.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.657 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -78.6 149.01 33.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.287 175.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.409 ' O ' HG22 ' A' ' 30' ' ' VAL . 68.2 m80 -56.66 -20.64 22.48 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.801 -173.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -62.76 -7.16 4.46 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.901 0.381 . . . . 0.0 111.683 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.9 t -58.68 -37.11 75.34 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 176.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 27' ' ' HIS . 20.8 m -66.7 -35.51 74.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.943 -176.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.05 -50.93 14.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.45 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 m -54.53 -48.92 71.4 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.683 ' HB ' ' HA ' ' A' ' 80' ' ' SER . 13.2 m -132.28 -28.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -173.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.55 -20.93 11.9 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 119.521 -1.323 . . . . 0.0 112.826 -177.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.52 ' H ' HG23 ' A' ' 33' ' ' VAL . 16.1 m-85 -71.31 138.91 49.69 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.753 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 65.1 mm-40 -78.41 148.25 73.51 Favored Pre-proline 0 C--N 1.308 -1.211 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 171.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.494 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 88.0 Cg_exo -46.42 -44.85 20.07 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.167 1.911 . . . . 0.0 111.269 177.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -59.11 -38.49 79.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.484 -1.234 . . . . 0.0 111.527 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.753 ' HG3' ' HB2' ' A' ' 36' ' ' GLN . 41.8 mt-10 -67.52 -26.94 66.58 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.916 0.389 . . . . 0.0 110.936 -173.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.6 mt -79.71 -32.5 41.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.818 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 30.9 mt -64.93 108.39 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.513 -177.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.12 -22.92 7.43 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.668 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -108.94 177.9 4.63 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.699 0.761 . . . . 0.0 111.552 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.515 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 30.6 t-20 -110.69 145.95 37.1 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.537 -1.21 . . . . 0.0 109.549 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.7 tt -61.7 -24.4 33.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.289 176.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.6 t -71.73 -25.9 25.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.472 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.515 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 68.9 mm-40 -62.91 -35.25 79.45 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.32 0.581 . . . . 0.0 110.257 177.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -105.82 11.57 31.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.347 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.571 ' SG ' HD12 ' A' ' 57' ' ' LEU . 41.7 t -87.27 132.36 33.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.818 176.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.525 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 30.3 t-80 -45.35 125.78 5.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.741 174.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -49.78 -29.97 21.68 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.917 3.078 . . . . 0.0 114.316 -171.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -90.08 -5.44 56.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.026 0.441 . . . . 0.0 111.248 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -107.53 -5.75 17.39 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -175.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -61.17 -42.68 99.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.379 -175.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -36.07 79.78 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.8 tp -59.99 -51.67 68.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.173 178.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.571 HD12 ' SG ' ' A' ' 49' ' ' CYS . 13.1 mt -62.32 -44.38 96.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.936 175.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.596 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 70.8 ttt180 -56.57 -49.68 74.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.81 0.338 . . . . 0.0 110.38 -178.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.678 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 21.8 t70 -67.85 -38.98 83.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.742 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.4 p -65.89 -40.12 91.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.699 0.762 . . . . 0.0 110.307 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.609 ' O ' HG23 ' A' ' 65' ' ' VAL . 12.5 m-85 -64.72 -36.67 85.03 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.802 175.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 16.0 mm100 -65.35 -35.16 80.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.481 176.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.678 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 32.5 mm-40 -62.06 -51.51 67.69 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.455 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.97 -21.14 27.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.56 -176.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 61' ' ' PHE . 71.7 t -69.97 -42.7 79.67 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 CA-C-O 121.219 0.533 . . . . 0.0 109.868 176.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 63' ' ' GLN . 13.5 ptmm? -85.67 -18.51 32.97 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.569 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.625 HD12 HD23 ' A' ' 72' ' ' LEU . 47.7 mt -94.81 29.75 2.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.229 175.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 82.5 mttt -29.58 109.72 0.05 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.1 -19.14 35.43 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.665 175.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -95.35 139.55 31.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.8 0.333 . . . . 0.0 110.803 -177.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.2 t -78.37 117.34 23.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.168 177.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.625 HD23 HD12 ' A' ' 67' ' ' LEU . 1.2 tm? -101.47 115.55 30.77 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -176.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.4 p -93.06 121.03 33.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.699 0.285 . . . . 0.0 110.731 -177.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.1 p -130.57 135.74 59.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.801 0.81 . . . . 0.0 110.319 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 21.3 ttt -114.31 124.3 51.64 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.115 -174.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.45 ' HE1' ' OG1' ' A' ' 90' ' ' THR . 19.7 p90 -148.5 178.38 8.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -176.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.525 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 91.8 mtt180 -103.35 118.58 37.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.88 0.372 . . . . 0.0 110.8 176.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.624 ' CD1' HG11 ' A' ' 33' ' ' VAL . 8.6 t80 -91.75 137.12 32.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.512 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.427 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 6.2 ttm180 -81.34 108.51 15.02 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.233 176.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.712 ' HB3' HD11 ' A' ' 86' ' ' LEU . 90.1 p -63.79 -178.53 0.31 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.699 0.761 . . . . 0.0 112.117 174.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.445 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 21.8 tptm -76.87 -7.43 55.48 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.424 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -96.88 1.68 50.83 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.957 -1.02 . . . . 0.0 108.654 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 66.23 27.88 10.16 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.601 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -107.54 152.52 24.13 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.523 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 52.4 m95 -111.01 101.11 9.69 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.022 0.439 . . . . 0.0 110.753 -171.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.712 HD11 ' HB3' ' A' ' 80' ' ' SER . 0.0 OUTLIER -100.17 159.18 15.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.948 -177.531 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -71.52 124.34 24.44 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.415 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.637 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 2.8 tpp -133.58 124.56 27.1 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.729 174.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -97.87 111.66 23.87 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.45 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 98.3 m -94.37 127.52 40.31 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.196 0.522 . . . . 0.0 110.851 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.8 m -94.96 115.51 27.54 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.127 174.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.435 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 10.4 m -94.05 125.59 38.77 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.55 -174.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.534 ' HE2' ' HD1' ' A' ' 95' ' ' PHE . 60.0 t80 -124.54 135.02 52.83 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 171.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.466 ' HB ' HD13 ' A' ' 103' ' ' ILE . 1.1 p -99.58 110.0 22.47 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.117 0.484 . . . . 0.0 110.478 175.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.534 ' HD1' ' HE2' ' A' ' 93' ' ' PHE . 24.4 t80 -79.53 107.92 12.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.624 -174.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.507 ' HG2' HG12 ' A' ' 103' ' ' ILE . 53.0 mt-30 . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.736 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.573 HD11 ' HG2' ' A' ' 68' ' ' LYS . 71.2 mt . . . . . 0 N--CA 1.448 -0.563 0 CA-C-O 121.256 0.55 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.445 ' HG2' ' H ' ' A' ' 104' ' ' GLU . 1.6 mm-40 -67.42 -49.2 64.78 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.048 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.477 ' HB2' ' O ' ' A' ' 16' ' ' HIS . 2.8 p90 -179.03 -174.59 0.35 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.438 -1.255 . . . . 0.0 109.519 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.625 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 64.8 mt -101.08 139.91 21.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 57.8 mt -113.32 111.99 38.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.404 ' HB2' HG23 ' A' ' 90' ' ' THR . 6.1 p -112.23 119.53 38.67 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.279 0.561 . . . . 0.0 112.161 -173.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.9 m -88.37 130.03 35.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 170.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.637 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 35.0 m-80 -119.05 113.86 21.6 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.254 -171.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.2 m -112.59 114.11 26.58 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.805 -176.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -82.2 120.71 25.7 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.424 -178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 CA--C 1.538 0.497 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.651 -173.899 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.658 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 34.5 Cg_exo . . . . . 0 CA--C 1.53 0.316 0 N-CA-C 111.841 -0.1 . . . . 0.0 111.841 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 m -88.98 16.12 7.52 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.226 0.536 . . . . 0.0 111.749 -170.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.563 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 18.2 mt-10 -128.49 134.45 48.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 177.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 29' ' ' CYS . 37.8 p90 -133.3 139.37 46.84 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.99 178.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.2 tt -96.67 142.85 13.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.7 t -138.0 143.78 40.78 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.297 0.57 . . . . 0.0 111.025 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -112.53 115.79 29.2 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 172.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.608 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 1.4 p-80 -128.96 162.53 27.37 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.734 0.778 . . . . 0.0 112.214 -172.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.02 146.16 47.84 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.257 -1.338 . . . . 0.0 108.485 177.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.7 pt -50.31 -23.68 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -170.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -79.84 -8.94 59.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.685 0.278 . . . . 0.0 111.222 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.65 11.02 31.78 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 121.003 -0.618 . . . . 0.0 111.973 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.465 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 43.5 mm -86.95 123.71 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -174.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -68.61 127.62 33.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.173 0.511 . . . . 0.0 111.26 -177.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.2 m -118.11 -40.95 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.995 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -133.27 121.83 23.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.328 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.2 t -131.77 138.71 52.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.743 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -85.73 148.26 25.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.273 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.45 ' HA ' ' CG ' ' A' ' 37' ' ' PRO . 27.9 m170 -56.22 -17.4 7.36 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.658 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 49.0 mtm180 -62.2 -12.42 20.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.496 0.188 . . . . 0.0 111.424 176.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.486 ' HA ' ' CD1' ' A' ' 12' ' ' PHE . 43.8 t -53.01 -34.66 57.33 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.147 0.499 . . . . 0.0 111.615 174.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.437 HG22 ' NE2' ' A' ' 36' ' ' GLN . 48.0 t -65.35 -43.35 94.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.278 -177.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.53 -46.18 64.11 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.462 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.506 HG22 HG13 ' A' ' 33' ' ' VAL . 5.4 m -60.67 -58.02 10.22 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 177.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.506 HG13 HG22 ' A' ' 32' ' ' THR . 33.8 m -134.32 20.03 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -167.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.44 -23.55 1.91 Allowed Glycine 0 CA--C 1.521 0.408 0 N-CA-C 114.679 0.632 . . . . 0.0 114.679 172.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.43 ' CD2' HD21 ' A' ' 40' ' ' LEU . 22.8 m-85 -78.1 150.77 33.64 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 117.347 0.574 . . . . 0.0 110.831 -174.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.447 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 9.8 mm-40 -91.07 144.45 29.99 Favored Pre-proline 0 C--N 1.312 -1.062 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 173.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.524 ' HB2' ' OE1' ' A' ' 38' ' ' GLN . 89.2 Cg_exo -46.19 -45.87 17.52 Favored 'Trans proline' 0 CA--C 1.519 -0.241 0 C-N-CA 122.319 2.012 . . . . 0.0 112.483 -176.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.524 ' OE1' ' HB2' ' A' ' 37' ' ' PRO . 4.3 mm100 -63.26 -34.45 77.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.108 -176.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.447 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 11.2 mm-40 -67.59 -28.06 67.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.711 -176.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.43 HD21 ' CD2' ' A' ' 35' ' ' TYR . 33.6 mt -80.85 -27.01 36.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.383 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.4 mt -63.88 106.46 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.089 0.471 . . . . 0.0 110.222 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.68 -18.64 9.2 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.656 -176.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.685 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 9.9 mmpt? -105.58 156.84 17.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.026 0.441 . . . . 0.0 110.751 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.429 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 29.2 t-20 -94.96 148.3 22.46 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.4 tt -62.29 -23.75 32.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.099 0.476 . . . . 0.0 109.923 174.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.481 HG13 ' HG3' ' A' ' 54' ' ' GLN . 97.7 t -71.48 -28.33 31.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.542 176.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.429 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 7.4 mm-40 -59.95 -36.29 76.77 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.499 0.666 . . . . 0.0 110.48 178.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -109.31 18.92 19.96 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.285 -177.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.43 ' SG ' HD12 ' A' ' 57' ' ' LEU . 42.2 t -92.84 135.48 34.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.231 177.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.857 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 37.7 t-80 -45.15 122.39 5.03 Favored Pre-proline 0 C--O 1.221 -0.424 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.026 174.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -49.43 -26.85 12.74 Favored 'Trans proline' 0 N--CA 1.478 0.618 0 C-N-CA 124.021 3.147 . . . . 0.0 114.548 -169.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.7 -4.59 58.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.692 0.282 . . . . 0.0 111.476 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -108.96 0.83 20.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.108 -172.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.481 ' HG3' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -53.13 -49.64 66.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.099 -179.176 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.471 ' HA ' HE21 ' A' ' 55' ' ' GLN . 0.0 OUTLIER -73.7 -29.95 62.58 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.163 178.565 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.5 tp -58.72 -49.06 79.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.943 0.401 . . . . 0.0 110.3 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.51 HD21 ' CD1' ' A' ' 76' ' ' PHE . 13.1 mt -66.68 -49.43 66.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.609 175.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 46.2 ttt180 -54.62 -50.93 66.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -176.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.591 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 16.9 t70 -62.32 -43.38 98.95 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -177.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 55.5 m -71.38 -32.07 68.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.888 -175.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.55 ' O ' HG23 ' A' ' 65' ' ' VAL . 15.7 m-30 -69.85 -32.76 71.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 14.1 mm100 -72.92 -29.22 62.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.992 176.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 81.1 mm-40 -61.34 -47.85 84.03 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.476 177.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.504 HG11 ' HB3' ' A' ' 92' ' ' SER . 7.4 p -71.08 -24.09 24.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.098 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 61' ' ' PHE . 85.8 t -71.88 -25.57 24.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 121.307 0.575 . . . . 0.0 109.679 173.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -82.75 -39.8 21.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.382 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.649 HD11 HD23 ' A' ' 72' ' ' LEU . 63.6 mt -67.57 -53.46 28.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.417 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.721 ' HG2' HD11 ' A' ' 103' ' ' ILE . 99.4 mttt 58.66 92.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.923 0.764 . . . . 0.0 112.001 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.25 -18.26 36.27 Favored Glycine 0 C--N 1.317 -0.509 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.622 176.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.509 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 11.0 mm100 -96.95 142.49 28.86 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.0 p -77.11 127.13 38.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.459 0.647 . . . . 0.0 110.928 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.649 HD23 HD11 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -120.76 113.57 20.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.037 178.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.5 t -101.79 120.5 40.47 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.068 0.461 . . . . 0.0 110.614 -173.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.4 p -121.72 137.23 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 CA-C-O 121.915 0.864 . . . . 0.0 110.579 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 22.3 ttt -113.92 128.55 56.44 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.506 -172.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.51 ' CD1' HD21 ' A' ' 57' ' ' LEU . 20.0 p90 -152.07 179.06 8.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.936 -175.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.857 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 60.2 mtt180 -99.58 116.78 32.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -94.08 129.98 40.42 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.419 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 3.4 ttm180 -77.23 100.2 5.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.945 0.402 . . . . 0.0 110.484 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.452 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 41.7 t -69.8 175.69 4.13 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.931 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -67.01 -15.13 63.53 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -170.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.459 ' HB2' ' OE1' ' A' ' 84' ' ' GLU . 11.8 m-80 -102.23 15.07 30.22 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 69.21 23.31 6.4 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.146 175.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.459 ' OE1' ' HB2' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -91.11 155.76 18.4 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.015 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.47 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 79.1 m95 -115.01 84.48 2.09 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.168 0.509 . . . . 0.0 109.66 -176.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.453 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.3 pp -87.81 162.02 17.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.969 -174.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -82.88 111.07 18.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.442 0.639 . . . . 0.0 111.103 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.7 ' HE1' ' HB3' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -122.26 133.3 54.7 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.554 -179.368 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -113.47 120.95 42.77 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.445 ' CG2' ' HB2' ' A' ' 108' ' ' CYS . 66.2 m -104.75 129.32 53.0 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.791 -177.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.498 ' OG ' ' HB ' ' A' ' 109' ' ' THR . 8.3 p -94.43 126.67 39.85 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.504 ' HB3' HG11 ' A' ' 64' ' ' VAL . 5.0 m -100.59 127.39 46.99 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.784 -173.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -127.54 134.18 49.77 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 170.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.59 ' HB ' HD13 ' A' ' 103' ' ' ILE . 2.2 p -105.56 114.33 28.43 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 120.819 0.342 . . . . 0.0 110.122 176.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -83.94 109.71 17.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.844 -174.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.541 174.587 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.721 HD11 ' HG2' ' A' ' 68' ' ' LYS . 91.4 mt . . . . . 0 N--CA 1.449 -0.483 0 CA-C-O 121.303 0.573 . . . . 0.0 110.047 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.463 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 5.7 pt-20 -75.66 -41.36 54.19 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -169.8 178.23 4.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.397 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.608 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 57.3 mt -104.26 139.11 26.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.798 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 64.5 mt -115.78 106.82 21.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.445 ' HB2' ' CG2' ' A' ' 90' ' ' THR . 28.0 p -115.1 137.86 51.54 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.978 0.418 . . . . 0.0 111.474 -173.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.498 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 23.2 m -96.45 125.35 40.88 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 170.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.7 ' HB3' ' HE1' ' A' ' 88' ' ' MET . 17.4 m120 -106.12 111.23 23.76 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -174.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.5 m -117.47 126.73 53.11 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.288 -173.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.456 ' HB2' HG23 ' A' ' 32' ' ' THR . 9.3 t-20 -84.43 114.63 22.05 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.616 177.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 C--N 1.321 -0.631 0 CA-C-O 121.324 0.583 . . . . 0.0 111.327 -174.248 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo . . . . . 0 CA--C 1.532 0.387 0 CA-C-O 120.665 0.194 . . . . 0.0 112.401 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.499 ' HB ' ' HB3' ' A' ' 112' ' ' ASN . 39.3 p -89.13 32.86 0.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.217 0.532 . . . . 0.0 111.657 -177.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 110' ' ' ASN . 25.1 tt0 -126.65 133.66 50.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 172.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -146.25 155.46 42.69 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.184 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.481 HG12 HG23 ' A' ' 109' ' ' THR . 57.5 mt -111.3 134.69 52.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.752 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.7 p -136.66 141.33 43.17 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.126 0.489 . . . . 0.0 111.165 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -109.54 126.75 53.89 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.426 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -145.68 150.45 36.32 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.007 -175.384 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -76.25 166.96 22.7 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.4 pt -56.63 -16.6 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 124.633 1.208 . . . . 0.0 114.014 -168.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -83.44 -15.6 49.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.051 0.453 . . . . 0.0 110.327 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.41 10.89 26.54 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.229 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.0 mm -89.49 123.06 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 116.884 0.342 . . . . 0.0 110.922 -171.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.439 ' CE1' ' HB ' ' A' ' 45' ' ' ILE . 88.2 m-85 -72.76 132.55 43.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 111.777 -176.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.1 p -119.76 -20.22 7.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.436 174.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -153.86 133.66 13.05 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.539 174.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.84 138.5 22.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.094 0.473 . . . . 0.0 111.021 177.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -70.3 148.68 48.22 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.334 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.421 ' HA ' ' CG ' ' A' ' 37' ' ' PRO . 70.8 m80 -62.8 -19.51 64.12 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.691 -172.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 -67.14 -6.43 17.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.578 0.228 . . . . 0.0 111.387 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.4 t -55.31 -41.21 72.08 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.067 0.46 . . . . 0.0 111.203 178.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.681 HG22 ' HA ' ' A' ' 36' ' ' GLN . 16.4 t -64.67 -37.37 79.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.196 0.522 . . . . 0.0 109.785 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.71 -50.83 39.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.045 -177.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.551 HG23 ' HB2' ' A' ' 112' ' ' ASN . 30.4 m -59.24 -52.92 63.6 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' A' ' 78' ' ' PHE . 35.9 m -125.63 -27.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -169.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.567 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 120.75 -20.71 8.65 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 118.973 -1.584 . . . . 0.0 113.452 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.557 ' H ' HG23 ' A' ' 33' ' ' VAL . 22.5 m-85 -81.19 136.45 35.86 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 120.802 0.334 . . . . 0.0 110.699 -178.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.734 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 44.7 mm-40 -76.48 149.21 81.13 Favored Pre-proline 0 C--N 1.311 -1.1 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 173.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.513 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 85.4 Cg_exo -48.26 -42.91 33.02 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.07 1.847 . . . . 0.0 110.949 175.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -55.78 -42.23 75.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.734 ' HG3' ' HB2' ' A' ' 36' ' ' GLN . 40.0 mt-10 -69.99 -23.96 63.23 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.329 -171.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 66.2 mt -86.13 -26.02 25.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.501 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 64.3 mt -62.92 106.78 0.87 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.261 0.553 . . . . 0.0 111.178 -176.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.2 -11.34 33.87 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.984 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.748 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 10.3 mmpt? -105.58 160.87 14.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.836 0.351 . . . . 0.0 110.409 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.539 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 20.9 t-20 -96.52 138.95 33.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.317 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.439 ' HB ' ' CE1' ' A' ' 22' ' ' PHE . 14.5 tt -62.32 -24.69 35.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.262 174.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.4 t -71.13 -25.74 26.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.475 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.539 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 19.2 mm-40 -67.88 -39.13 83.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.311 0.577 . . . . 0.0 110.643 177.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -100.15 19.66 16.01 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.218 -178.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.2 t -96.24 142.47 28.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.452 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.677 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 35.1 t-80 -47.38 127.62 9.96 Favored Pre-proline 0 C--N 1.332 -0.166 0 O-C-N 123.783 0.677 . . . . 0.0 109.809 172.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.456 ' HD2' ' CD2' ' A' ' 50' ' ' HIS . 7.3 Cg_endo -48.56 -44.52 30.23 Favored 'Trans proline' 0 N--CA 1.473 0.315 0 C-N-CA 123.559 2.84 . . . . 0.0 113.572 -169.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -77.08 -5.11 47.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.423 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 2.7 m-20 -110.74 -5.04 15.06 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -175.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -65.09 -36.48 84.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.127 -173.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -75.4 -29.93 59.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.949 0.404 . . . . 0.0 110.253 174.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.425 HD21 HG22 ' A' ' 74' ' ' VAL . 3.0 tt -63.28 -40.38 97.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.385 177.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 57' ' ' LEU . 15.1 mt -67.32 -45.36 76.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.99 175.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.468 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 59.3 mtt180 -58.68 -47.02 85.94 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.704 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.799 ' HA ' HE21 ' A' ' 62' ' ' GLN . 38.9 t70 -63.93 -43.79 94.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.443 -177.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.5 p -71.19 -47.53 56.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.377 0.608 . . . . 0.0 111.27 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.658 ' O ' HG12 ' A' ' 64' ' ' VAL . 9.1 m-85 -64.78 -36.55 84.69 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.904 -177.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.799 HE21 ' HA ' ' A' ' 59' ' ' ASP . 27.8 pt20 -73.75 -25.99 60.44 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.069 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.462 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 66.2 mt-30 -76.65 -28.67 56.11 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.651 177.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 61' ' ' PHE . 8.7 p -71.63 -26.68 26.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 119.396 -0.922 . . . . 0.0 109.289 173.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.824 ' HA ' HG21 ' A' ' 94' ' ' THR . 59.5 t -72.12 -28.63 29.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 121.243 0.544 . . . . 0.0 109.587 172.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 55.4 mtpt -78.8 -38.27 38.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.651 175.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.559 ' HB3' ' HB3' ' A' ' 70' ' ' GLN . 69.5 mt -67.84 -52.06 41.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.084 178.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.723 ' HG2' HD11 ' A' ' 103' ' ' ILE . 89.3 mttt 62.36 99.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.814 0.696 . . . . 0.0 112.124 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.97 -11.44 65.96 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.773 176.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.559 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 51.0 tp60 -98.06 138.62 35.1 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.555 ' HA ' ' O ' ' A' ' 92' ' ' SER . 96.8 t -76.8 118.76 23.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.216 0.531 . . . . 0.0 111.086 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.504 HD23 HD12 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -99.67 114.13 27.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.421 -0.808 . . . . 0.0 108.92 -179.719 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.9 p -96.45 120.91 37.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.173 0.511 . . . . 0.0 110.508 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.425 HG22 HD21 ' A' ' 56' ' ' LEU . 14.7 p -138.74 138.06 42.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.89 0.853 . . . . 0.0 110.695 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 15.2 ttt -113.17 137.31 51.65 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.147 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -161.7 178.6 8.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.995 -176.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.677 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 13.6 mtp180 -107.47 116.29 31.68 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.172 0.511 . . . . 0.0 110.46 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.571 ' CD1' HG11 ' A' ' 33' ' ' VAL . 14.0 t80 -89.46 145.5 25.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.055 -178.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.637 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 47.6 ttp180 -84.03 110.22 18.28 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.67 0.748 . . . . 0.0 111.553 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.6 ' HB3' ' HB2' ' A' ' 84' ' ' GLU . 18.8 t -54.87 159.85 2.16 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.051 170.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.567 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 22.4 tptm -66.26 -9.88 36.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.716 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -102.99 13.26 34.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 64.71 45.61 3.38 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.107 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.637 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 26.1 mt-10 -108.94 160.97 15.58 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.349 177.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -113.09 95.06 5.19 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 120.843 0.354 . . . . 0.0 110.109 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.553 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.3 pp -98.19 159.71 14.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.134 0.492 . . . . 0.0 111.803 -177.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -90.32 127.02 36.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.799 -174.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.8 ptp -143.34 152.02 41.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.444 171.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -115.97 117.51 30.35 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 174.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.43 ' CG2' ' HB2' ' A' ' 108' ' ' CYS . 89.2 m -100.86 135.28 42.56 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.181 -174.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.589 ' OG ' ' HB ' ' A' ' 109' ' ' THR . 33.4 p -104.03 121.17 42.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.555 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 3.8 m -100.68 137.29 39.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.334 -173.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -130.31 143.27 50.67 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 171.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.824 HG21 ' HA ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -111.24 119.03 37.56 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 120.834 0.35 . . . . 0.0 110.563 177.19 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -77.52 100.07 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.729 -174.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.659 174.271 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.733 HD12 ' HB ' ' A' ' 94' ' ' THR . 48.3 mm . . . . . 0 CA--C 1.517 -0.302 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -65.96 -50.53 64.02 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.77 0.795 . . . . 0.0 109.269 174.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -174.95 177.23 2.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 113.955 -1.475 . . . . 0.0 108.83 -176.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.426 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 52.3 mt -96.89 145.23 9.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 58.6 mt -120.69 106.75 19.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.43 ' HB2' ' CG2' ' A' ' 90' ' ' THR . 1.8 p -105.08 113.13 26.54 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.27 0.557 . . . . 0.0 111.148 -174.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.589 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 8.4 m -85.74 134.68 33.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.855 174.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.425 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 0.4 OUTLIER -110.81 131.96 54.61 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.532 -171.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 90.5 m -126.1 109.69 12.66 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.84 172.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.551 ' HB2' HG23 ' A' ' 32' ' ' THR . 2.6 t-20 -82.89 119.47 24.44 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.142 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.206 -175.922 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo . . . . . 0 CA--C 1.532 0.394 0 CA-C-O 121.062 0.359 . . . . 0.0 112.701 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.439 ' HB ' ' HB3' ' A' ' 112' ' ' ASN . 0.8 OUTLIER -87.69 30.26 0.83 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.258 -176.662 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.576 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 50.3 mt-10 -132.46 134.26 44.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -131.31 151.47 51.47 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.652 176.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.4 mt -97.72 118.59 44.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.281 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.5 p -115.33 121.36 42.59 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.157 0.503 . . . . 0.0 110.358 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.543 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 29.9 mtm180 -102.49 113.23 26.4 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 175.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.406 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -131.5 147.29 52.53 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.596 -172.389 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -68.49 153.8 43.06 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.3 pt -51.07 -24.02 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 124.312 1.008 . . . . 0.0 113.39 -167.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' HB2' HG12 ' A' ' 21' ' ' ILE . 26.2 mt-10 -67.25 -19.89 65.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.076 0.465 . . . . 0.0 111.058 177.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.62 2.53 30.74 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.018 -173.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.405 HG12 ' HB2' ' A' ' 19' ' ' GLU . 40.0 mm -82.52 122.46 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 111.51 0.189 . . . . 0.0 111.51 -171.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.498 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 91.5 m-85 -76.28 120.04 20.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.748 0.309 . . . . 0.0 111.067 -177.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.2 t -118.07 -13.76 9.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.512 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.543 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 82.5 t80 -147.39 118.02 7.52 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 173.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.576 HG21 ' HB3' ' A' ' 40' ' ' LEU . 94.2 t -122.33 131.71 72.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.918 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -74.29 147.68 42.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.692 174.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.53 ' HA ' ' HG3' ' A' ' 37' ' ' PRO . 31.3 m80 -66.84 -15.49 63.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.231 -168.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.7 mtt85 -70.79 -3.89 21.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.948 0.404 . . . . 0.0 111.107 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.2 p -62.87 -35.76 81.06 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.029 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.595 HG12 ' HA ' ' A' ' 36' ' ' GLN . 9.7 m -59.99 -40.29 82.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.541 -179.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.41 -50.51 15.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.427 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.495 HG23 ' HB2' ' A' ' 112' ' ' ASN . 23.4 m -52.19 -54.45 30.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.783 177.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.619 HG11 ' CD1' ' A' ' 78' ' ' PHE . 17.1 m -127.64 -28.67 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -171.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.539 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 117.49 -21.71 10.53 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 119.413 -1.375 . . . . 0.0 113.212 -177.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.517 ' H ' HG23 ' A' ' 33' ' ' VAL . 22.2 m-85 -71.64 142.61 49.93 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.595 ' HA ' HG12 ' A' ' 30' ' ' VAL . 5.0 mm100 -86.45 161.12 49.45 Favored Pre-proline 0 C--N 1.312 -1.058 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 172.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.726 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 72.6 Cg_exo -49.42 -50.48 12.91 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.529 1.486 . . . . 0.0 110.04 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -58.05 -46.14 85.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.301 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.491 ' OE1' ' HG2' ' A' ' 36' ' ' GLN . 66.6 mt-10 -64.86 -26.74 68.46 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.613 0.244 . . . . 0.0 111.291 -174.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.576 ' HB3' HG21 ' A' ' 25' ' ' VAL . 18.7 tp -88.94 -25.95 21.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.855 0.359 . . . . 0.0 110.75 -177.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.726 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 88.7 mt -62.25 121.47 13.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.397 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.63 -5.84 40.88 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.946 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 9.0 mmpt? -108.69 156.52 19.48 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.557 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 31.1 t-20 -97.46 144.97 26.66 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 175.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.498 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 14.2 tt -60.71 -32.77 52.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 177.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.46 ' HA ' ' CB ' ' A' ' 49' ' ' CYS . 9.7 p -68.19 -22.7 27.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 120.761 0.315 . . . . 0.0 111.195 177.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.557 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 22.7 mm-40 -71.83 -31.58 66.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.383 0.611 . . . . 0.0 110.401 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -106.57 19.48 20.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.52 175.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.462 ' SG ' ' HA ' ' A' ' 54' ' ' GLN . 36.0 t -93.97 132.13 38.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.445 177.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.555 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 16.4 t-80 -48.17 126.89 12.1 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.211 175.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.23 -29.17 28.52 Favored 'Trans proline' 0 N--CA 1.479 0.647 0 C-N-CA 123.949 3.099 . . . . 0.0 114.372 -171.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -84.22 -8.49 59.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.06 0.457 . . . . 0.0 110.717 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.577 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 4.5 m-20 -120.82 1.32 10.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.71 -170.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.462 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 87.8 mt-30 -60.29 -42.01 94.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.242 -177.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.497 ' OE1' ' HD2' ' A' ' 58' ' ' ARG . 13.4 mm100 -73.34 -28.36 62.02 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.856 176.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.577 ' HB3' ' O ' ' A' ' 53' ' ' ASP . 17.1 tp -58.41 -43.83 88.79 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.505 HD23 ' O ' ' A' ' 53' ' ' ASP . 4.3 mm? -62.41 -54.45 40.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.917 177.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.57 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 69.3 mtt180 -60.52 -46.71 89.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.413 -175.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.639 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 33.3 t70 -60.37 -46.2 90.81 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.189 0.519 . . . . 0.0 110.548 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.0 m -67.12 -35.27 79.39 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.659 -176.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.536 ' O ' HG23 ' A' ' 65' ' ' VAL . 14.2 m-30 -70.3 -32.11 69.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.161 175.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 84.3 mm-40 -67.11 -39.31 86.68 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.639 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 73.0 mm-40 -65.55 -42.89 91.36 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.294 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.549 HG11 ' OG ' ' A' ' 92' ' ' SER . 11.6 p -70.97 -25.13 25.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.83 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 61' ' ' PHE . 74.4 t -72.71 -29.29 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.384 0.611 . . . . 0.0 109.631 173.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 63.4 mttm -76.89 -29.46 55.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.836 173.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.837 ' HB3' ' HB2' ' A' ' 70' ' ' GLN . 37.9 mt -74.78 -58.16 3.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.191 178.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 99.0 mttt 58.78 98.28 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.8 0.688 . . . . 0.0 111.635 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.71 -20.05 47.69 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.529 -0.844 . . . . 0.0 112.607 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.837 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 2.8 mp0 -87.86 134.14 33.76 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.5 t -76.84 116.02 19.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.2 tt -116.43 130.74 56.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.962 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.9 m -105.18 122.65 46.35 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.856 0.36 . . . . 0.0 111.299 -174.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.7 p -121.59 134.98 63.2 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.78 0 CA-C-O 121.588 0.709 . . . . 0.0 109.789 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 27.6 ttt -119.67 124.32 45.98 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.39 -173.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.476 ' CG ' HD21 ' A' ' 57' ' ' LEU . 10.4 p90 -151.29 179.94 7.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.064 -170.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.555 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 76.6 mtp180 -106.5 119.52 39.49 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.79 0.329 . . . . 0.0 110.523 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.619 ' CD1' HG11 ' A' ' 33' ' ' VAL . 20.4 t80 -96.71 144.11 27.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.037 -176.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 3.9 ttm180 -83.07 104.67 13.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.102 0.477 . . . . 0.0 110.502 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.567 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -65.25 173.22 2.63 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.001 174.722 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.539 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 18.3 tptm -73.17 -3.35 26.08 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.536 0.684 . . . . 0.0 110.916 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.488 ' OD1' ' HB2' ' A' ' 80' ' ' SER . 18.4 p30 -103.52 7.73 37.77 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.97 176.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 68.54 14.97 9.14 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 114.249 -1.342 . . . . 0.0 112.205 176.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 56.3 mm-40 -88.25 166.47 14.31 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 171.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.588 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 37.3 m95 -124.19 87.45 2.73 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -173.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -89.67 160.8 16.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.352 0.596 . . . . 0.0 111.921 -173.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -83.09 121.39 26.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.391 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 11.0 ptp -132.16 143.59 50.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.248 0.547 . . . . 0.0 110.715 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -99.35 110.11 22.65 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.839 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 109' ' ' THR . 49.0 m -101.69 125.54 48.37 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.838 0.351 . . . . 0.0 111.093 -177.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.557 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 14.6 p -94.87 130.82 41.31 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.549 ' OG ' HG11 ' A' ' 64' ' ' VAL . 8.6 t -104.88 155.94 18.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.498 0.666 . . . . 0.0 110.936 -176.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 45.1 t80 -159.7 134.57 7.94 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.332 -1.304 . . . . 0.0 108.601 177.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.69 ' HB ' HD12 ' A' ' 103' ' ' ILE . 75.5 p -96.74 110.56 23.0 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.551 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 33.4 t80 -72.6 102.83 3.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.151 0.501 . . . . 0.0 110.38 -175.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.016 -179.402 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.69 HD12 ' HB ' ' A' ' 94' ' ' THR . 40.7 mm . . . . . 0 CA--C 1.513 -0.472 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -61.86 -42.48 99.11 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.706 0.765 . . . . 0.0 109.698 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -178.97 176.86 0.87 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.958 -1.474 . . . . 0.0 109.099 -175.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.406 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 56.1 mt -98.71 140.6 18.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 175.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 57.3 mt -114.65 107.0 21.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 91' ' ' SER . 89.2 m -112.81 135.29 53.72 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.207 0.527 . . . . 0.0 111.78 -175.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 90' ' ' THR . 52.8 m -99.65 130.64 45.89 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 170.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.576 ' O ' ' HA ' ' A' ' 11' ' ' GLU . 16.7 m120 -108.63 110.28 21.69 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -175.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.571 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 81.0 m -106.71 105.15 15.04 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.096 -176.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.495 ' HB2' HG23 ' A' ' 32' ' ' THR . 1.9 t-20 -74.54 116.27 15.03 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.9 t . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.255 -176.389 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 33.5 Cg_exo . . . . . 0 CA--C 1.533 0.429 0 CA-C-O 120.715 0.215 . . . . 0.0 112.588 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 p -86.09 17.6 3.5 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -173.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.885 ' HG2' ' HA ' ' A' ' 111' ' ' THR . 45.7 mt-10 -124.77 133.48 53.13 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 173.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -131.69 154.96 48.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.894 0.378 . . . . 0.0 110.512 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.4 mt -99.44 120.1 48.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.736 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.5 p -106.17 113.65 27.3 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 121.471 0.653 . . . . 0.0 110.305 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.567 ' HB3' ' HB3' ' A' ' 24' ' ' PHE . 38.0 ttt180 -97.01 103.91 15.88 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 178.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -135.91 156.73 48.32 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.361 0.601 . . . . 0.0 112.38 -168.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -85.26 160.05 19.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.269 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.477 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 48.3 pt -57.63 -15.69 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -167.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -83.45 -2.23 55.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.158 0.504 . . . . 0.0 110.236 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 44' ' ' ASN . . . 93.18 10.29 59.76 Favored Glycine 0 N--CA 1.442 -0.962 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -178.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.7 mm -82.63 117.72 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 O-C-N 123.528 0.193 . . . . 0.0 110.692 -174.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.415 ' CD2' ' HG ' ' A' ' 40' ' ' LEU . 97.1 m-85 -75.56 113.4 12.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.641 0.258 . . . . 0.0 110.463 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.1 p -97.65 -32.68 11.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.662 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.567 ' HB3' ' HB3' ' A' ' 15' ' ' ARG . 87.1 t80 -139.77 124.39 18.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.348 175.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.401 HG21 HD23 ' A' ' 40' ' ' LEU . 94.6 t -124.89 133.45 69.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.058 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -73.5 147.76 43.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.375 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.513 ' HA ' ' HG3' ' A' ' 37' ' ' PRO . 59.6 m80 -60.35 -17.5 43.72 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -173.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.524 ' HD2' ' O ' ' A' ' 11' ' ' GLU . 67.5 mtm180 -68.15 -7.26 28.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.635 0.255 . . . . 0.0 111.502 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.6 p -57.5 -34.69 69.34 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.171 0.51 . . . . 0.0 111.313 176.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.704 HG12 ' HA ' ' A' ' 36' ' ' GLN . 4.7 m -66.58 -34.91 73.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.258 -178.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.04 -51.38 9.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.093 -176.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.457 HG23 ' HB2' ' A' ' 112' ' ' ASN . 24.5 m -53.78 -47.28 70.93 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 178.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.711 HG11 ' CD1' ' A' ' 78' ' ' PHE . 16.6 m -131.18 -34.01 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -173.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.2 -11.54 9.85 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 119.158 -1.496 . . . . 0.0 113.812 -177.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.503 ' H ' HG23 ' A' ' 33' ' ' VAL . 24.2 m-85 -82.47 137.27 34.71 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 117.444 0.622 . . . . 0.0 110.019 178.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.704 ' HA ' HG12 ' A' ' 30' ' ' VAL . 4.3 mm100 -83.73 154.83 65.19 Favored Pre-proline 0 C--N 1.314 -0.952 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 177.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.634 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 84.7 Cg_exo -46.99 -51.41 9.34 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.687 2.258 . . . . 0.0 112.176 -174.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -64.79 -37.46 87.69 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.707 -176.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -68.01 -26.39 65.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.947 0.404 . . . . 0.0 110.654 -174.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.415 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 18.3 tp -86.18 -27.23 24.67 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.348 -178.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 68.2 mt -62.3 116.37 4.98 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.78 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.4 -6.68 36.42 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.596 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.724 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -103.09 156.09 17.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.77 0.319 . . . . 0.0 110.591 177.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.619 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 10.0 m120 -89.72 144.5 25.93 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 174.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.8 tt -62.82 -20.48 25.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.429 173.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.435 HG13 ' HG2' ' A' ' 54' ' ' GLN . 61.6 t -76.75 -29.28 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.667 179.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.619 ' HG2' ' HB2' ' A' ' 44' ' ' ASN . 17.0 mm-40 -62.79 -31.19 72.11 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.581 0.705 . . . . 0.0 110.093 176.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -109.21 21.3 17.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.778 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.541 ' SG ' HD12 ' A' ' 57' ' ' LEU . 35.0 t -99.21 131.79 44.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.971 176.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.522 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 19.1 t-80 -44.98 122.46 4.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.82 175.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.403 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 76.7 Cg_exo -51.87 -24.34 18.52 Favored 'Trans proline' 0 N--CA 1.477 0.505 0 C-N-CA 123.662 2.908 . . . . 0.0 114.258 -172.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -93.84 -5.08 48.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.927 0.394 . . . . 0.0 110.912 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -112.27 3.77 17.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -173.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.435 ' HG2' HG13 ' A' ' 46' ' ' VAL . 66.1 mt-30 -67.02 -43.17 83.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.787 -173.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -72.07 -29.93 64.63 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.3 tp -59.12 -47.94 83.41 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.766 175.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.541 HD12 ' SG ' ' A' ' 49' ' ' CYS . 12.7 mt -66.33 -47.96 71.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.846 174.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.475 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 68.1 ttt180 -53.4 -55.53 24.27 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.452 0.47 . . . . 0.0 110.954 -176.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.648 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 21.4 t70 -56.27 -46.72 79.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.326 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.3 m -69.2 -31.65 70.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.213 -174.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.493 ' O ' HG23 ' A' ' 65' ' ' VAL . 15.0 m-30 -70.89 -33.3 70.45 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 175.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 18.0 mm-40 -69.14 -39.64 78.72 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.7 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 83.5 mm-40 -58.78 -47.89 83.15 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.588 178.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.516 HG21 ' HB2' ' A' ' 92' ' ' SER . 9.1 p -71.33 -20.6 21.33 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.576 -177.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 61' ' ' PHE . 54.6 t -71.5 -26.2 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.83 0.824 . . . . 0.0 109.446 171.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -87.66 -55.92 3.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.156 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 3.9 pp -90.31 9.15 29.94 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -172.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.425 ' HE2' ' NE2' ' A' ' 96' ' ' GLN . 0.2 OUTLIER -42.52 140.45 1.25 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.849 173.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.17 -32.0 7.21 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 108.499 -1.84 . . . . 0.0 108.499 -166.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -105.5 139.87 39.46 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 169.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.4 t -76.58 123.8 33.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.956 0.408 . . . . 0.0 110.045 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.465 HD23 HD11 ' A' ' 67' ' ' LEU . 1.6 tm? -103.93 116.69 32.72 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -176.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.404 ' HB3' ' HD2' ' A' ' 89' ' ' ARG . 27.6 m -100.64 120.83 40.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.825 0.345 . . . . 0.0 110.186 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.7 p -121.84 137.26 56.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 121.547 0.689 . . . . 0.0 110.231 178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.7 ttt -109.46 132.81 53.79 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.943 -175.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.479 ' HE1' ' OG1' ' A' ' 90' ' ' THR . 14.6 p90 -160.16 178.21 9.89 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 123.407 0.442 . . . . 0.0 109.921 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.626 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 51.3 mtp180 -108.1 117.97 35.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.903 0.382 . . . . 0.0 110.547 -179.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.711 ' CD1' HG11 ' A' ' 33' ' ' VAL . 13.0 t80 -94.82 147.79 22.98 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.843 -175.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -83.05 105.66 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.202 0.525 . . . . 0.0 111.322 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.435 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 34.3 t -58.46 161.21 4.65 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.529 168.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -65.21 -10.95 35.86 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.262 0.553 . . . . 0.0 110.677 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.411 ' HB2' ' OE1' ' A' ' 84' ' ' GLU . 14.1 m-80 -97.74 7.79 45.8 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 65.94 32.64 8.39 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.411 ' OE1' ' HB2' ' A' ' 82' ' ' ASN . 36.5 mt-10 -99.18 156.28 17.04 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.087 -0.96 . . . . 0.0 108.891 173.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -119.63 94.52 4.43 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 121.157 0.503 . . . . 0.0 110.153 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.626 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.7 pp -100.37 168.61 9.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.376 -174.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.429 ' HB3' HG23 ' A' ' 113' ' ' VAL . 71.6 m95 -89.56 130.67 35.84 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.608 -176.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.521 ' HA ' HG22 ' A' ' 113' ' ' VAL . 10.3 ptp -140.66 139.39 34.8 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.019 0.438 . . . . 0.0 110.873 169.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HD2' ' HB3' ' A' ' 73' ' ' SER . 10.1 ttp180 -95.64 115.06 26.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.177 175.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.479 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 58.8 m -96.44 125.08 40.68 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.918 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.543 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 19.2 m -97.09 122.09 39.71 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 176.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.516 ' HB2' HG21 ' A' ' 64' ' ' VAL . 2.5 m -111.84 144.5 41.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.317 0.579 . . . . 0.0 112.115 -172.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.485 ' CE1' ' HA ' ' A' ' 95' ' ' PHE . 16.7 t80 -145.73 134.65 22.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.56 168.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.462 ' HB ' HD13 ' A' ' 103' ' ' ILE . 21.7 p -98.87 121.37 40.74 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.485 ' HA ' ' CE1' ' A' ' 93' ' ' PHE . 4.2 t80 -76.9 104.12 7.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.169 0.509 . . . . 0.0 110.213 -174.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.425 ' NE2' ' HE2' ' A' ' 68' ' ' LYS . 19.1 mt-30 . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.398 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.462 HD13 ' HB ' ' A' ' 94' ' ' THR . 77.9 mt . . . . . 0 CA--C 1.507 -0.685 0 CA-C-O 121.696 0.76 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 8.4 mt-10 -73.34 -53.13 11.52 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.042 -1.435 . . . . 0.0 109.576 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -167.69 -176.39 3.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.194 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 45.3 mt -113.77 143.4 23.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.692 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.0 mt -120.32 106.79 19.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 91' ' ' SER . 98.3 m -118.47 136.84 53.56 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -174.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 32.5 m -98.59 137.47 37.18 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 170.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -113.23 110.65 20.73 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.885 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 80.9 m -103.99 116.29 31.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.92 -176.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.457 ' HB2' HG23 ' A' ' 32' ' ' THR . 3.1 t-20 -74.99 109.59 8.58 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.39 -0.966 . . . . 0.0 108.39 176.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 88' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.866 -172.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.531 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 32.6 Cg_exo . . . . . 0 C--O 1.231 0.133 0 N-CA-C 111.672 -0.165 . . . . 0.0 111.672 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.15 23.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.127 0.489 . . . . 0.0 111.904 -176.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.627 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 2.5 tm-20 -128.26 133.42 48.79 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 174.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -138.95 139.15 37.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.175 0.512 . . . . 0.0 110.841 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.0 tt -96.92 144.4 10.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.375 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.7 t -145.17 143.22 30.21 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.27 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 15' ' ' ARG . 48.6 mtm105 -108.14 131.21 54.88 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 174.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.652 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 1.4 p-80 -138.59 157.89 45.29 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 119.781 -0.768 . . . . 0.0 112.007 -176.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.94 148.18 52.28 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.998 -1.001 . . . . 0.0 108.619 175.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.403 HG13 ' HG3' ' A' ' 19' ' ' GLU . 33.5 pt -51.83 -26.21 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 O-C-N 124.306 1.004 . . . . 0.0 113.708 -168.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.403 ' HG3' HG13 ' A' ' 18' ' ' ILE . 14.2 mt-10 -78.68 -8.11 58.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.458 -178.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.16 15.98 18.02 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.656 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.4 mm -91.45 118.36 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.919 0.359 . . . . 0.0 110.427 -175.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' A' ' 40' ' ' LEU . 72.1 m-85 -62.09 130.6 46.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.021 0.439 . . . . 0.0 111.688 -177.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 m -114.08 -40.36 3.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.279 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -147.72 133.77 19.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.429 ' CG1' ' HB2' ' A' ' 29' ' ' CYS . 98.1 t -129.36 136.79 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.162 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -75.91 149.27 37.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.314 0.578 . . . . 0.0 110.268 174.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -57.99 -17.81 19.76 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.126 -0.943 . . . . 0.0 112.91 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.627 ' HD3' ' O ' ' A' ' 11' ' ' GLU . 98.5 mtt180 -61.25 -14.78 28.6 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.099 0.249 . . . . 0.0 111.359 176.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.429 ' HB2' ' CG1' ' A' ' 25' ' ' VAL . 43.3 t -50.05 -43.82 51.27 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.393 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.5 m -65.79 -27.86 42.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 111.042 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.68 -52.11 9.51 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.524 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 m -63.47 -52.1 62.79 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.542 ' O ' ' HA ' ' A' ' 80' ' ' SER . 28.0 m -127.68 10.11 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -168.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.05 -28.97 1.89 Allowed Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.292 -0.956 . . . . 0.0 113.824 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.402 ' HE2' ' HB3' ' A' ' 48' ' ' PHE . 12.6 m-85 -71.17 142.31 50.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.234 0.54 . . . . 0.0 111.355 -176.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.501 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 4.8 mm100 -83.86 146.63 49.62 Favored Pre-proline 0 C--N 1.315 -0.933 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.565 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 82.6 Cg_exo -45.66 -42.72 18.97 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 122.202 1.935 . . . . 0.0 112.093 -179.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -56.43 -40.91 75.55 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.7 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.501 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 34.8 mm-40 -62.98 -27.22 69.26 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.223 0.535 . . . . 0.0 111.125 -171.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.589 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 89.0 mt -89.17 -31.16 18.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.656 -175.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 53.7 mt -61.81 112.51 2.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.821 -172.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.91 -8.85 33.97 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.227 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.427 ' HD3' ' HZ ' ' A' ' 48' ' ' PHE . 22.8 mtpp -118.12 165.34 13.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.763 0.316 . . . . 0.0 110.603 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.591 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 5.3 t-20 -87.65 144.06 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.05 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.595 HG12 ' SG ' ' A' ' 49' ' ' CYS . 12.2 tt -57.62 -38.6 65.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.439 174.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.1 -30.09 45.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.356 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.591 ' HG3' ' HB3' ' A' ' 44' ' ' ASN . 39.5 mt-10 -65.02 -19.6 66.08 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.124 0.487 . . . . 0.0 110.499 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.446 ' HD1' HH21 ' A' ' 79' ' ' ARG . 65.5 m-85 -116.0 14.83 16.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.254 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.595 ' SG ' HG12 ' A' ' 45' ' ' ILE . 88.9 m -100.4 148.06 25.14 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.384 178.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.58 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 40.8 t-80 -49.28 128.46 16.75 Favored Pre-proline 0 N--CA 1.465 0.302 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.16 175.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 50' ' ' HIS . 74.6 Cg_exo -51.91 -34.46 56.02 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 124.065 3.177 . . . . 0.0 114.17 -174.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -84.2 -7.07 59.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.956 0.408 . . . . 0.0 110.871 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -111.39 -8.89 14.28 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -173.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 50' ' ' HIS . 97.9 mt-30 -66.24 -34.11 77.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.741 -175.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.483 ' O ' ' HB3' ' A' ' 58' ' ' ARG . 10.3 tm0? -77.2 -37.23 53.92 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.0 tp -59.6 -47.96 83.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.305 177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.559 HD11 ' CD2' ' A' ' 76' ' ' PHE . 62.3 mt -62.84 -34.43 77.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.211 177.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.654 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 49.8 ttt180 -55.84 -54.95 38.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.671 175.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.556 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 19.0 t70 -68.63 -39.92 80.56 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.497 0.184 . . . . 0.0 111.497 -176.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.49 ' OG ' ' HA ' ' A' ' 57' ' ' LEU . 6.1 p -67.79 -44.21 77.91 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.318 0.58 . . . . 0.0 111.289 -175.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.524 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.2 m-85 -59.33 -36.18 75.21 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.822 175.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.654 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 87.3 mm-40 -67.85 -35.46 78.6 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.59 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.577 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 40.0 mm-40 -57.31 -51.84 67.74 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.147 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.532 HG11 ' HB3' ' A' ' 92' ' ' SER . 12.2 p -66.04 -31.08 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.037 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.538 ' HA ' HG21 ' A' ' 94' ' ' THR . 78.1 t -68.71 -34.99 67.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.219 0.533 . . . . 0.0 110.195 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 16.3 ptpt -88.05 -17.72 30.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.112 177.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 75.4 mt -76.05 -52.75 9.52 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 173.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 98.0 mttt 62.54 97.98 0.03 OUTLIER 'General case' 0 C--O 1.235 0.339 0 O-C-N 123.844 0.715 . . . . 0.0 112.601 175.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.88 -18.05 50.96 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.473 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -90.96 129.75 36.95 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.8 p -76.83 121.44 29.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.585 ' HB3' ' HB2' ' A' ' 92' ' ' SER . 15.4 tp -106.12 144.28 33.06 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.374 -174.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.406 ' HB3' ' HD3' ' A' ' 89' ' ' ARG . 25.2 m -111.4 121.32 44.91 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.891 0.377 . . . . 0.0 111.044 175.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.9 p -129.54 132.94 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.59 0 CA-C-O 121.611 0.72 . . . . 0.0 109.673 173.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.9 ttt -109.55 124.0 50.37 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.924 -175.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.559 ' CD2' HD11 ' A' ' 57' ' ' LEU . 18.8 p90 -146.46 178.11 8.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.031 -175.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.638 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 38.9 mtm180 -108.13 114.36 28.2 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 176.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.511 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 4.9 t80 -83.98 147.31 27.52 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.728 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 54.0 ttp180 -88.93 105.59 17.87 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.097 178.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.639 ' HB3' ' HB2' ' A' ' 84' ' ' GLU . 30.1 t -58.17 167.29 1.33 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.203 173.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -67.3 -9.52 41.71 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.603 -176.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -103.83 13.46 32.87 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.41 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 1.7 mp0 66.08 38.12 4.92 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 114.154 -1.385 . . . . 0.0 110.597 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.728 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 20.0 mt-10 -94.25 158.5 15.56 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.638 -1.164 . . . . 0.0 109.601 177.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.509 ' CZ3' ' HA ' ' A' ' 50' ' ' HIS . 31.0 m95 -117.6 83.26 1.96 Allowed 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 120.763 0.316 . . . . 0.0 110.387 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.712 HD13 ' HE1' ' A' ' 88' ' ' MET . 0.3 OUTLIER -92.82 166.01 12.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.08 -178.244 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -101.01 122.46 43.57 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -170.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.712 ' HE1' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -136.19 147.98 47.91 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.159 0.504 . . . . 0.0 110.57 172.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.406 ' HD3' ' HB3' ' A' ' 73' ' ' SER . 37.1 ttm180 -106.85 117.27 33.62 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.08 174.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.511 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 86.9 m -94.67 133.53 38.23 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.315 -176.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.4 m -88.34 114.82 25.35 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.478 -0.783 . . . . 0.0 108.998 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.585 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 5.1 m -93.77 120.41 34.0 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.324 -176.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -129.83 135.06 47.97 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.536 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.538 HG21 ' HA ' ' A' ' 65' ' ' VAL . 20.8 p -100.0 108.82 21.11 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 176.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.527 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 2.6 t80 -81.02 117.3 21.51 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 1.006 ' HG2' HG12 ' A' ' 103' ' ' ILE . 16.0 mt-30 . . . . . 0 C--N 1.319 -0.76 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.484 -172.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 1.006 HG12 ' HG2' ' A' ' 96' ' ' GLN . 60.7 mt . . . . . 0 CA--C 1.51 -0.594 0 CA-C-O 121.061 0.458 . . . . 0.0 109.928 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 4.8 pt-20 -69.67 -41.32 75.65 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.503 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.483 ' HB2' ' O ' ' A' ' 16' ' ' HIS . 24.3 p90 -173.91 173.68 3.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.951 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.652 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 65.7 mt -100.97 144.52 12.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.587 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 63.3 mt -113.44 115.52 49.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.6 p -113.4 112.43 23.63 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.274 0.559 . . . . 0.0 111.622 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.3 m -90.24 136.21 33.19 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 171.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.437 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 33.7 m-80 -126.49 110.75 13.63 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.914 -171.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.1 m -108.19 127.12 53.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.306 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -81.52 116.57 21.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.959 0.409 . . . . 0.0 110.106 -177.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 24.1 t . . . . . 0 C--N 1.322 -0.607 0 CA-C-O 121.756 0.789 . . . . 0.0 110.311 -178.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.59 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 31.7 Cg_exo . . . . . 0 CA--C 1.531 0.372 0 CA-C-O 120.523 0.135 . . . . 0.0 111.796 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.421 HG22 ' HA ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -85.68 33.0 0.57 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.193 0.521 . . . . 0.0 112.018 -174.57 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.47 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 9.1 pt-20 -142.88 135.66 27.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.746 173.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -130.49 153.43 48.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.144 0.497 . . . . 0.0 110.897 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.9 mt -102.78 128.7 55.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.483 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.0 t -127.2 140.67 52.08 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.26 0.553 . . . . 0.0 111.049 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.433 ' HG2' HG12 ' A' ' 107' ' ' ILE . 77.8 mtt180 -110.6 121.65 45.85 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 173.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.425 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -139.32 153.58 47.76 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.095 0.474 . . . . 0.0 111.294 -172.832 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.44 147.09 52.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.836 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.487 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 44.0 pt -50.08 -25.29 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 124.452 1.095 . . . . 0.0 113.588 -169.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -75.69 -9.51 58.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.215 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.41 9.41 33.6 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.254 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 46.1 mm -88.26 122.08 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -175.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CD2' ' HG ' ' A' ' 40' ' ' LEU . 93.6 m-85 -69.22 126.14 28.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.998 0.427 . . . . 0.0 111.346 -176.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.2 m -109.72 -39.26 5.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.493 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -141.68 132.56 25.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.466 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.423 ' CG1' ' HB2' ' A' ' 29' ' ' CYS . 97.6 t -130.59 137.9 55.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.709 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -75.87 149.22 37.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.071 0.462 . . . . 0.0 110.662 175.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -59.11 -16.03 17.29 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -173.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.59 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 84.3 mtm180 -68.43 0.02 4.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.074 0.464 . . . . 0.0 111.263 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 35' ' ' TYR . 32.2 t -58.36 -38.33 77.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.139 176.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.2 m -69.32 -31.34 49.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.137 0.494 . . . . 0.0 111.431 -177.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.63 -52.23 9.34 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.487 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.421 ' HA ' HG22 ' A' ' 10' ' ' THR . 2.8 m -60.25 -54.76 41.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.721 178.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.523 HG11 ' CD1' ' A' ' 78' ' ' PHE . 35.3 m -132.09 10.79 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -170.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.67 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 77.98 -18.61 4.92 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 120.58 -0.819 . . . . 0.0 114.351 173.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.439 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 23.1 m-85 -75.25 148.11 39.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.507 0.653 . . . . 0.0 111.182 -178.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.605 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -85.33 137.63 36.8 Favored Pre-proline 0 C--N 1.315 -0.916 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 169.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.664 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 86.4 Cg_exo -41.14 -50.92 4.12 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.636 2.224 . . . . 0.0 112.453 -177.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -56.91 -42.9 80.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.745 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.605 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 38.4 mm-40 -61.8 -33.12 73.54 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.439 0.638 . . . . 0.0 110.493 -176.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.471 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 18.8 tp -81.47 -28.46 34.11 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.105 -177.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 57.2 mt -60.85 117.51 5.51 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.461 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.64 -28.35 7.13 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.869 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.807 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 10.5 mmpt? -91.03 155.14 18.91 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.972 0.415 . . . . 0.0 110.236 178.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.531 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 10.0 t-20 -87.1 144.05 27.04 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 170.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.427 HG13 ' HE2' ' A' ' 78' ' ' PHE . 15.2 tt -58.32 -25.04 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.033 175.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.3 p -72.41 -23.58 21.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.721 0.296 . . . . 0.0 110.607 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.531 ' HG3' ' HB3' ' A' ' 44' ' ' ASN . 46.4 mt-10 -72.81 -19.32 61.36 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.109 0.481 . . . . 0.0 110.486 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -118.48 17.4 13.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.248 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.403 ' SG ' HD22 ' A' ' 57' ' ' LEU . 41.8 t -98.64 132.03 44.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.057 173.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.599 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 54.9 t60 -46.86 123.4 7.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.116 174.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.457 ' HA ' ' CD ' ' A' ' 54' ' ' GLN . 6.9 Cg_endo -49.79 -23.23 8.15 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 124.202 3.268 . . . . 0.0 114.758 -172.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -87.55 -6.13 58.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.261 -0.275 . . . . 0.0 111.413 -178.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.567 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 45.6 m-20 -110.52 -17.87 13.33 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 120.728 0.299 . . . . 0.0 110.41 -178.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.457 ' CD ' ' HA ' ' A' ' 51' ' ' PRO . 81.2 mt-30 -53.67 -29.28 37.9 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.259 0.624 . . . . 0.0 111.953 -178.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -74.08 -48.8 27.27 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.746 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 53' ' ' ASP . 4.6 pp -66.53 -29.85 70.03 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.923 0.868 . . . . 0.0 108.991 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.533 ' N ' HD12 ' A' ' 56' ' ' LEU . 20.6 tp -64.22 -52.12 60.37 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.854 174.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 54' ' ' GLN . 98.4 mtt180 -55.59 -48.1 75.39 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.269 0.556 . . . . 0.0 110.203 175.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.628 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 23.1 t70 -61.04 -41.56 96.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.423 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.4 p -65.13 -41.53 94.73 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.38 0.609 . . . . 0.0 110.801 -175.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.519 ' O ' HG23 ' A' ' 65' ' ' VAL . 4.1 m-85 -60.31 -37.92 82.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.909 176.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 30.9 mm-40 -68.57 -37.07 79.57 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.664 178.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.628 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 31.0 mm-40 -62.1 -48.33 80.65 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.495 HG11 ' OG ' ' A' ' 92' ' ' SER . 10.6 p -70.75 -24.34 24.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.589 -176.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 61' ' ' PHE . 70.8 t -70.63 -27.99 32.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.469 0.652 . . . . 0.0 109.429 174.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -83.86 -31.77 25.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.447 174.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.609 HD12 HD23 ' A' ' 72' ' ' LEU . 54.0 mt -90.72 29.38 1.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.108 -177.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.468 ' HD3' ' OE1' ' A' ' 96' ' ' GLN . 95.2 mttt -36.47 101.7 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.2 -27.52 6.08 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.758 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -97.11 142.41 29.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.796 0.331 . . . . 0.0 110.572 -178.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.5 t -77.77 120.37 28.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.947 177.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.609 HD23 HD12 ' A' ' 67' ' ' LEU . 1.3 tm? -113.78 115.52 27.91 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -177.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.1 p -100.35 126.76 46.75 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.296 0.569 . . . . 0.0 111.654 -175.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.2 p -115.57 130.06 70.83 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 CA-C-O 121.872 0.844 . . . . 0.0 110.338 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.8 ttt -105.43 126.99 52.74 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 114.413 -1.267 . . . . 0.0 109.362 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -159.48 178.57 9.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.931 -174.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.599 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 41.1 mtt180 -102.16 115.07 29.77 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.523 ' CD1' HG11 ' A' ' 33' ' ' VAL . 15.9 t80 -99.1 140.28 33.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.686 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 15.1 ttp180 -81.43 118.95 23.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.062 0.458 . . . . 0.0 111.688 -178.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.495 ' HB2' HD21 ' A' ' 86' ' ' LEU . 32.1 t -78.33 177.29 8.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.529 173.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.67 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 19.6 tptm -69.53 -7.21 36.34 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 111.023 -177.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -103.48 11.79 35.97 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.576 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 66.43 25.2 10.29 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 114.552 -1.204 . . . . 0.0 112.035 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.686 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 23.1 mm-40 -101.6 167.66 9.98 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.321 175.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.563 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 68.6 m95 -120.05 93.97 4.23 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.162 -173.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.55 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -93.48 155.18 17.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.308 0.575 . . . . 0.0 111.846 -175.03 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -80.26 97.62 7.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.673 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.496 ' CE ' ' HB3' ' A' ' 110' ' ' ASN . 0.5 OUTLIER -112.06 132.19 54.97 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.525 177.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -100.84 111.61 23.86 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.425 ' CG2' ' HB2' ' A' ' 108' ' ' CYS . 85.4 m -95.97 122.18 38.51 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.664 -177.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 34.1 m -95.57 120.13 35.27 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.495 ' OG ' HG11 ' A' ' 64' ' ' VAL . 11.3 t -101.29 153.85 19.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.47 0.652 . . . . 0.0 111.231 -173.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.57 ' HE2' ' HD1' ' A' ' 95' ' ' PHE . 55.5 t80 -156.09 133.3 10.69 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.164 -1.38 . . . . 0.0 108.648 173.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.481 HG21 ' HA ' ' A' ' 65' ' ' VAL . 42.7 p -87.47 103.33 15.42 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.57 ' HD1' ' HE2' ' A' ' 93' ' ' PHE . 16.8 t80 -73.08 110.16 7.16 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.595 0.712 . . . . 0.0 109.576 -176.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.621 ' HG2' HG12 ' A' ' 103' ' ' ILE . 24.7 mt-30 . . . . . 0 C--N 1.315 -0.932 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.009 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.621 HG12 ' HG2' ' A' ' 96' ' ' GLN . 69.1 mt . . . . . 0 CA--C 1.513 -0.46 0 CA-C-O 120.9 0.381 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 4.0 pt-20 -94.72 -39.9 10.06 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.018 173.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -174.13 175.87 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.972 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.487 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 67.5 mt -98.62 144.29 11.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.433 HG12 ' HG2' ' A' ' 15' ' ' ARG . 46.7 mt -117.41 115.21 47.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 175.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 91' ' ' SER . 22.3 p -117.95 135.12 54.33 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.398 0.618 . . . . 0.0 111.308 -174.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 26.4 m -94.09 121.53 35.67 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.736 171.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.496 ' HB3' ' CE ' ' A' ' 88' ' ' MET . 16.1 m120 -108.46 109.32 20.56 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 -175.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.4 m -117.7 130.31 56.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.93 0.395 . . . . 0.0 111.238 -173.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -83.26 112.9 20.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.096 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.324 -0.502 0 CA-C-O 121.528 0.68 . . . . 0.0 109.265 177.661 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.867 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 48.9 Cg_exo . . . . . 0 CA--C 1.531 0.369 0 CA-C-O 120.704 0.21 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.74 17.71 18.69 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.051 0.453 . . . . 0.0 111.811 -171.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 0.5 OUTLIER -133.73 135.74 44.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 169.595 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -127.91 151.35 49.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.075 0.464 . . . . 0.0 111.253 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.3 mt -98.4 120.82 48.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.885 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.8 p -118.02 125.0 49.51 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.061 0.458 . . . . 0.0 110.368 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -105.94 124.18 49.16 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 176.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.528 ' HB3' ' HA ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -145.16 158.2 43.88 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -170.032 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.632 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -59.19 144.81 44.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 113.861 -1.518 . . . . 0.0 109.387 176.288 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.8 pt -53.23 -24.43 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -170.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -78.03 -12.32 59.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.688 0.28 . . . . 0.0 110.902 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.81 4.05 21.51 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.66 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.632 ' HB ' ' HB3' ' A' ' 17' ' ' ASN . 41.4 mm -82.09 111.43 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 116.776 0.288 . . . . 0.0 110.904 -172.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.528 ' HA ' ' HB3' ' A' ' 16' ' ' HIS . 96.5 m-85 -63.96 118.63 8.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.867 0.365 . . . . 0.0 111.759 -177.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 p -108.63 -30.22 8.33 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.292 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -139.3 122.65 17.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.384 176.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.9 t -129.3 136.44 59.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.673 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -84.49 149.5 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.31 0.576 . . . . 0.0 110.9 176.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -54.8 -20.95 9.69 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.88 -173.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.867 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 80.1 mtm180 -63.28 -8.41 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 111.816 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.1 p -63.19 -33.17 74.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.625 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.76 HG12 ' HA ' ' A' ' 36' ' ' GLN . 3.9 m -66.25 -32.16 56.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.945 0.402 . . . . 0.0 110.957 -174.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.31 -52.82 7.25 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.69 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -54.95 -55.34 31.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.664 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.2 m -127.69 11.38 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -169.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 81' ' ' LYS . . . 75.29 -28.96 1.18 Allowed Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.8 -0.714 . . . . 0.0 114.051 175.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -70.18 139.07 52.28 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 120.979 0.418 . . . . 0.0 110.114 -177.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.76 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -83.55 153.43 64.99 Favored Pre-proline 0 C--N 1.316 -0.878 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 173.615 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.729 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 81.7 Cg_exo -45.67 -50.48 9.4 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 122.71 2.273 . . . . 0.0 112.809 -174.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -60.07 -40.82 90.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.098 -178.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -62.0 -30.46 70.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.261 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 14.5 tp -88.62 -26.49 21.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.407 -178.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.729 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 66.6 mt -64.0 115.6 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.947 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.31 -12.61 28.49 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.111 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.55 ' HE2' ' CZ ' ' A' ' 48' ' ' PHE . 29.5 mmmt -99.74 155.29 17.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.778 0.323 . . . . 0.0 110.679 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.633 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 29.1 t-20 -90.66 140.69 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 171.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.468 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 14.0 tt -59.4 -25.16 30.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.793 176.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.1 t -73.18 -27.66 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.055 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.633 ' HG3' ' HB3' ' A' ' 44' ' ' ASN . 37.7 mt-10 -61.47 -39.83 92.31 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.991 0.424 . . . . 0.0 110.542 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.55 ' CZ ' ' HE2' ' A' ' 43' ' ' LYS . 37.0 m-85 -102.13 17.05 24.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.082 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.452 ' SG ' HD12 ' A' ' 57' ' ' LEU . 44.2 t -90.5 132.95 35.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.233 172.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.618 ' HB3' ' CB ' ' A' ' 53' ' ' ASP . 26.0 t-80 -46.59 134.48 7.88 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.653 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -48.57 -53.08 7.39 Favored 'Trans proline' 0 N--CA 1.478 0.582 0 C-N-CA 122.817 2.345 . . . . 0.0 113.954 -172.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.408 ' HG2' ' ND1' ' A' ' 50' ' ' HIS . 7.7 pt-20 -70.16 -5.92 30.58 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.029 0.442 . . . . 0.0 111.611 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.654 ' OD2' ' HB2' ' A' ' 76' ' ' PHE . 29.8 t70 -110.36 -7.04 14.84 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.726 0.774 . . . . 0.0 109.546 -164.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -70.7 -37.0 73.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.961 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -37.04 85.71 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tt -60.09 -52.95 63.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.408 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 57' ' ' LEU . 10.8 mt -59.19 -44.59 92.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.721 176.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.608 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 24.0 ttt180 -53.19 -56.74 14.03 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.48 0.487 . . . . 0.0 110.964 -177.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.643 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 30.6 t70 -62.34 -44.32 96.76 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.051 0.453 . . . . 0.0 110.943 -177.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.8 m -65.88 -33.4 75.76 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.165 -175.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.495 ' O ' HG23 ' A' ' 65' ' ' VAL . 12.4 m-85 -69.29 -39.12 78.52 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 174.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.608 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 15.2 mm100 -62.71 -39.58 94.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.444 177.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.643 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 82.9 mm-40 -57.35 -50.07 74.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.517 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.506 HG11 ' OG ' ' A' ' 92' ' ' SER . 10.7 p -72.58 -22.71 20.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 120.961 0.41 . . . . 0.0 110.877 -177.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.563 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 64.9 t -71.17 -34.56 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 173.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 29.5 mtpp -72.25 -36.68 69.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.948 173.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.817 HD11 HD13 ' A' ' 72' ' ' LEU . 50.5 mt -61.53 -58.76 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.32 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.581 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 96.3 mttt 55.51 93.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 O-C-N 124.02 0.825 . . . . 0.0 111.851 -177.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.99 -14.0 34.19 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.982 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.475 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 14.6 mm100 -104.52 137.45 42.37 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.911 0.355 . . . . 0.0 110.802 -178.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 92' ' ' SER . 68.2 t -77.81 126.5 38.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.074 177.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.817 HD13 HD11 ' A' ' 67' ' ' LEU . 13.7 tp -117.76 137.51 52.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.51 -176.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.9 p -99.77 121.52 41.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.874 0.369 . . . . 0.0 110.991 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.8 p -125.7 131.8 71.56 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 CA-C-O 121.753 0.787 . . . . 0.0 109.97 174.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 24.3 ttt -111.64 121.75 45.97 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 114.569 -1.196 . . . . 0.0 109.757 -174.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.654 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . 28.9 p90 -151.8 178.73 9.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.228 -170.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.507 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 40.9 mtm180 -111.33 114.92 28.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.943 0.401 . . . . 0.0 110.92 -176.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -96.81 137.26 36.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.655 -177.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.595 ' NH2' ' HG3' ' A' ' 83' ' ' GLN . 32.2 ttt180 -82.59 104.36 12.8 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.054 0.454 . . . . 0.0 110.618 176.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.5 t -64.5 174.72 1.61 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.331 175.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.444 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . 25.9 tptp -68.92 -5.89 24.08 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.842 0.857 . . . . 0.0 110.989 -177.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -98.5 8.05 45.38 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.595 ' HG3' ' NH2' ' A' ' 79' ' ' ARG . 2.5 mp0 65.27 29.57 11.61 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.404 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.567 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 13.7 pt-20 -112.21 155.41 24.03 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.193 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.476 ' CZ3' ' HB2' ' A' ' 79' ' ' ARG . 42.9 m95 -111.06 107.36 16.72 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -176.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.507 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.2 pp -110.94 158.49 18.7 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.293 -177.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -81.25 133.63 35.47 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 120.988 0.423 . . . . 0.0 110.297 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.557 ' HA ' HG22 ' A' ' 113' ' ' VAL . 10.0 ptp -142.68 143.42 32.31 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.285 170.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -106.74 111.18 23.59 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 109' ' ' THR . 91.4 m -99.56 136.95 38.73 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 114.695 -1.138 . . . . 0.0 111.333 -176.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.412 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 15.9 m -96.59 120.18 36.43 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.222 175.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.506 ' OG ' HG11 ' A' ' 64' ' ' VAL . 9.3 t -98.08 155.63 17.04 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.339 0.59 . . . . 0.0 110.224 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 80.3 t80 -154.15 134.62 13.46 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.464 176.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.706 ' HB ' HD12 ' A' ' 103' ' ' ILE . 2.7 p -103.03 106.47 17.0 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 120.481 -0.488 . . . . 0.0 109.816 177.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.522 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 7.4 t80 -70.42 109.22 4.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.93 -171.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.293 177.699 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.706 HD12 ' HB ' ' A' ' 94' ' ' THR . 48.6 mm . . . . . 0 CA--C 1.515 -0.393 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -64.39 -47.48 79.08 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.693 0.759 . . . . 0.0 109.066 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -176.38 176.5 1.63 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.062 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.459 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 57.0 mt -97.16 142.2 14.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 175.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 47.3 mt -114.13 111.77 37.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 91.5 m -111.07 116.98 32.07 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.353 0.597 . . . . 0.0 111.23 -177.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' A' ' 90' ' ' THR . 8.0 m -93.19 109.53 21.04 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 173.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.469 ' O ' ' HA ' ' A' ' 11' ' ' GLU . 14.5 m120 -95.18 110.13 22.14 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -171.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.8 m -109.43 121.24 44.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.746 0.308 . . . . 0.0 110.858 -177.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.7 110.54 13.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.197 0.522 . . . . 0.0 110.217 -176.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.557 HG22 ' HA ' ' A' ' 88' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.44 -0.929 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.133 175.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.482 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 76.3 Cg_exo . . . . . 0 CA--C 1.53 0.303 0 CA-C-O 120.842 0.268 . . . . 0.0 112.311 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -83.51 8.5 13.84 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.443 0.64 . . . . 0.0 111.648 -172.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.666 ' HG2' ' HA ' ' A' ' 111' ' ' THR . 45.9 mt-10 -119.12 134.67 55.06 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 175.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -126.06 133.27 51.75 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.6 mt -93.64 125.37 46.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.464 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.5 p -131.05 140.34 50.06 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.234 0.54 . . . . 0.0 111.091 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.423 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 49.3 mtt180 -111.13 123.44 50.21 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.453 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -146.53 153.03 39.92 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.042 -170.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -74.93 154.23 38.25 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.421 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 26.1 pt -53.34 -21.12 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 O-C-N 124.43 1.082 . . . . 0.0 113.714 -168.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -73.55 -9.1 58.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.356 0.598 . . . . 0.0 110.739 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 44' ' ' ASN . . . 100.78 4.49 54.5 Favored Glycine 0 N--CA 1.44 -1.092 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 -177.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 31.7 mm -78.87 114.82 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 O-C-N 123.564 0.214 . . . . 0.0 110.989 -174.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.487 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 96.6 m-85 -75.51 122.25 23.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.036 0.446 . . . . 0.0 111.106 -178.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.1 p -110.43 -29.58 8.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.835 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.423 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 83.4 t80 -135.59 117.64 15.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.048 176.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.0 t -123.57 130.37 74.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.813 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -74.72 148.52 40.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.154 0.502 . . . . 0.0 110.221 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -60.51 -15.31 25.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.579 -174.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.656 ' HD2' ' O ' ' A' ' 11' ' ' GLU . 56.8 mtm180 -64.82 -11.14 33.91 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.5 p -57.79 -34.43 69.6 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.818 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.636 HG12 ' HA ' ' A' ' 36' ' ' GLN . 4.0 m -66.94 -30.37 49.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.447 -177.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.99 -51.39 9.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 -177.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.539 HG23 ' HB2' ' A' ' 112' ' ' ASN . 7.4 m -65.33 -50.46 65.57 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.422 HG11 ' CD1' ' A' ' 78' ' ' PHE . 35.1 m -129.36 14.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -169.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.59 -26.89 0.89 Allowed Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.938 -0.648 . . . . 0.0 114.39 174.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -70.3 140.29 52.26 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.261 0.553 . . . . 0.0 110.022 -177.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.646 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 15.4 mm-40 -84.13 154.85 63.88 Favored Pre-proline 0 C--N 1.311 -1.105 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 176.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.651 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 76.5 Cg_exo -47.95 -50.23 12.24 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.35 2.033 . . . . 0.0 111.868 -176.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -54.91 -46.39 74.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.386 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.646 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 8.7 mm-40 -62.65 -29.77 70.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.689 -172.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.3 tp -89.34 -25.63 21.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.274 -174.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 85.0 mt -60.36 115.32 3.45 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.051 0.453 . . . . 0.0 111.345 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.12 -12.84 34.1 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.29 178.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.657 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 9.3 mmpt? -102.1 154.25 19.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.537 0.208 . . . . 0.0 110.48 -178.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.649 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 8.5 m120 -84.73 146.23 27.52 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.487 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 13.2 tt -61.33 -25.95 37.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.21 171.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.447 HG12 ' HB3' ' A' ' 44' ' ' ASN . 8.1 p -74.87 -15.7 16.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.21 -178.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.649 ' HG2' ' HB2' ' A' ' 44' ' ' ASN . 16.6 mm-40 -76.23 -29.42 57.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.145 0.497 . . . . 0.0 110.758 179.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -113.73 14.45 18.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.344 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.43 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 41.0 t -87.41 142.5 27.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.18 176.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.71 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 39.0 t-80 -49.85 127.03 19.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.02 173.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -49.33 -34.04 30.84 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 124.473 3.449 . . . . 0.0 114.59 -171.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -82.79 -9.86 59.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 111.355 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.3 m-20 -110.2 -13.04 14.41 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -170.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 50' ' ' HIS . 78.8 mt-30 -59.9 -41.05 90.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.925 -176.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -77.32 -31.17 54.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.431 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 tt -68.51 -49.11 62.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 122.131 0.967 . . . . 0.0 108.497 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.707 ' HA ' HG21 ' A' ' 74' ' ' VAL . 0.3 OUTLIER -61.25 -43.86 98.19 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 113.672 -1.604 . . . . 0.0 110.268 175.425 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.58 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 80.0 ttt180 -56.41 -54.4 46.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.811 0.339 . . . . 0.0 110.805 178.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.3 -32.7 68.69 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.495 0.664 . . . . 0.0 111.103 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.9 m -77.06 -32.43 56.82 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.899 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.534 ' O ' HG12 ' A' ' 64' ' ' VAL . 4.7 m-30 -69.54 -32.44 71.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.277 0.56 . . . . 0.0 109.773 173.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 58' ' ' ARG . 33.6 mt-30 -64.24 -38.72 92.07 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 174.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -70.01 -32.09 70.07 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.432 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 61' ' ' PHE . 8.6 p -71.87 -25.82 24.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 119.314 -0.954 . . . . 0.0 110.088 177.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 62.7 t -74.14 -25.9 20.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 171.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.555 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 59.6 mtpt -80.53 -38.26 29.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.433 176.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.865 HD12 HD23 ' A' ' 72' ' ' LEU . 43.0 mt -95.78 30.45 2.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.798 -176.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 95.0 mttt -29.86 109.99 0.05 Allowed 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.06 -18.9 33.29 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.607 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.447 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 23.0 mt-30 -95.12 144.83 25.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.746 0.308 . . . . 0.0 110.694 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.2 p -77.02 116.82 20.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.396 0.617 . . . . 0.0 109.758 173.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.865 HD23 HD12 ' A' ' 67' ' ' LEU . 1.6 tm? -103.68 115.33 30.3 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -179.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.6 p -89.99 121.23 31.89 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.866 0.365 . . . . 0.0 110.911 -177.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.707 HG21 ' HA ' ' A' ' 57' ' ' LEU . 2.4 p -124.24 128.4 73.85 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 CA-C-O 121.729 0.776 . . . . 0.0 110.399 175.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 11.1 ttt -107.13 128.16 54.14 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.475 -1.238 . . . . 0.0 109.877 -176.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.413 ' HZ ' HD11 ' A' ' 45' ' ' ILE . 19.3 p90 -161.51 178.66 8.89 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.159 -175.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.71 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 81.9 mtp180 -108.35 123.12 48.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.848 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.52 ' O ' ' HA ' ' A' ' 85' ' ' TRP . 2.1 t80 -98.23 139.88 33.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.587 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.58 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 36.9 ttp180 -82.02 109.16 16.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.168 0.509 . . . . 0.0 111.092 178.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.5 p -65.97 175.61 1.96 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.343 172.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -72.63 -8.65 56.34 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 -175.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -102.04 10.13 39.82 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.447 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 2.0 mp0 67.03 40.84 2.81 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 114.69 -1.141 . . . . 0.0 112.333 174.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.58 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 36.9 mm-40 -115.94 159.98 20.85 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.582 170.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.557 ' CZ3' ' HB2' ' A' ' 79' ' ' ARG . 11.5 m95 -115.43 92.12 3.82 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -173.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.649 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -83.85 163.32 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.619 -178.068 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -90.32 121.67 32.54 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.908 -175.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 13.1 ptp -135.04 148.82 50.01 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.605 176.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -111.62 112.58 24.39 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 173.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 108' ' ' CYS . 96.5 m -93.54 131.59 38.65 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.834 -176.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.4 m -90.17 110.09 21.13 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.088 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.618 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 9.7 m -92.68 128.16 38.44 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.415 -174.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 67.0 t80 -131.01 135.22 47.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.443 173.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.784 ' HB ' HD12 ' A' ' 103' ' ' ILE . 4.1 p -104.34 112.25 25.21 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.956 0.408 . . . . 0.0 110.209 175.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.433 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 5.1 t80 -81.72 103.07 11.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.23 0.538 . . . . 0.0 111.166 -173.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 . . . . . 0 N--CA 1.45 -0.431 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.863 173.582 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.784 HD12 ' HB ' ' A' ' 94' ' ' THR . 48.9 mm . . . . . 0 CA--C 1.509 -0.606 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -68.29 -36.3 79.15 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.211 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -174.76 176.37 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.059 176.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.453 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 64.5 mt -99.22 141.6 16.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.829 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 71.2 mt -114.59 107.49 23.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 177.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.438 ' HB2' ' CG2' ' A' ' 90' ' ' THR . 13.9 p -118.64 119.54 34.79 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.381 0.61 . . . . 0.0 112.029 -172.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.0 m -89.87 134.91 33.94 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 171.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -118.15 111.62 19.09 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -171.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.666 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 58.5 m -107.41 110.42 22.38 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.084 -175.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.539 ' HB2' HG23 ' A' ' 32' ' ' THR . 2.4 t-20 -81.3 109.91 16.25 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.01 -178.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 38.7 t . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.065 -175.712 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo . . . . . 0 C--O 1.232 0.206 0 CA-C-O 120.453 0.105 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.55 HG22 ' HA ' ' A' ' 32' ' ' THR . 1.1 p -86.23 29.41 0.75 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.428 0.632 . . . . 0.0 111.929 -179.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 1.7 tm-20 -131.49 134.16 45.86 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 171.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.644 ' HB3' ' HB2' ' A' ' 28' ' ' ARG . 47.3 p90 -144.96 147.63 32.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.835 0.35 . . . . 0.0 110.996 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.6 mt -93.95 128.7 45.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.2 p -126.95 136.36 52.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.317 0.58 . . . . 0.0 110.866 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.508 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 69.9 mtt180 -111.1 126.55 54.95 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 176.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' HB3' ' HA ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -150.36 152.11 33.89 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.29 -172.72 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -73.01 155.4 39.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.462 ' HA ' HG13 ' A' ' 106' ' ' ILE . 37.3 pt -49.79 -27.36 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -167.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.01 -15.92 63.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.867 0.365 . . . . 0.0 111.198 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.59 4.4 32.27 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.89 -175.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.9 mm -83.0 115.48 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 121.957 0.103 . . . . 0.0 111.027 -172.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.601 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 97.8 m-85 -71.31 129.45 38.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.905 0.383 . . . . 0.0 111.753 -175.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.8 p -112.44 -24.58 9.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.742 176.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.508 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 87.2 t80 -144.16 127.4 16.7 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.58 176.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.419 HG21 HD23 ' A' ' 40' ' ' LEU . 87.3 t -131.11 135.73 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.809 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.567 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 13.3 t70 -81.41 149.68 28.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.281 0.563 . . . . 0.0 110.774 176.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.421 ' HA ' ' HG3' ' A' ' 37' ' ' PRO . 66.1 m80 -52.06 -23.98 6.1 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 114.816 -1.084 . . . . 0.0 113.322 -174.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.644 ' HB2' ' HB3' ' A' ' 12' ' ' PHE . 87.8 mtt180 -63.33 -9.04 10.2 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.786 0.327 . . . . 0.0 111.692 -178.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 39.7 t -60.32 -36.53 78.14 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.499 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.734 HG12 ' HA ' ' A' ' 36' ' ' GLN . 5.2 m -65.56 -34.51 70.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.244 -175.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.11 -50.85 10.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.996 0.427 . . . . 0.0 110.379 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.55 ' HA ' HG22 ' A' ' 10' ' ' THR . 5.7 m -56.04 -55.1 37.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.619 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.52 HG12 HD11 ' A' ' 86' ' ' LEU . 22.2 m -135.16 16.95 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -170.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.44 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 78.08 -28.09 1.97 Allowed Glycine 0 CA--C 1.517 0.194 0 C-N-CA 120.677 -0.773 . . . . 0.0 114.48 173.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -70.57 133.64 46.92 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 117.478 0.639 . . . . 0.0 110.192 -177.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.734 ' HA ' HG12 ' A' ' 30' ' ' VAL . 57.7 mm-40 -78.53 147.79 72.3 Favored Pre-proline 0 C--N 1.308 -1.211 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 175.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.657 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 76.2 Cg_exo -41.38 -51.33 4.16 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.564 2.176 . . . . 0.0 112.42 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -63.06 -39.32 94.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.999 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -64.78 -26.58 68.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.296 -175.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 18.0 tp -91.0 -24.24 20.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.546 -177.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 56.3 mt -61.97 124.71 21.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.706 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.64 -15.81 55.41 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.725 175.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -112.84 161.64 16.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.849 0.357 . . . . 0.0 110.808 -176.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -90.8 140.84 29.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.568 -172.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.601 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 13.8 tt -61.8 -28.37 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.52 173.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.4 t -70.74 -29.86 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.375 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.57 -24.63 65.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.092 0.473 . . . . 0.0 110.57 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -114.3 20.32 15.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.053 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.556 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 53.7 t -96.42 145.49 25.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.017 175.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.552 ' HA ' ' CE3' ' A' ' 85' ' ' TRP . 18.4 t-80 -44.06 126.91 4.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.66 173.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.38 -18.52 25.07 Favored 'Trans proline' 0 N--CA 1.477 0.52 0 C-N-CA 123.07 2.513 . . . . 0.0 113.45 -173.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -97.24 -6.52 34.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.29 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -116.45 -0.26 12.56 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -172.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.556 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 77.6 mt-30 -69.68 -32.05 70.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.911 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.03 -44.33 80.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.101 171.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.3 -45.99 79.99 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.224 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.455 HD23 HG21 ' A' ' 74' ' ' VAL . 12.4 mt -61.52 -45.58 93.61 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.696 174.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.513 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 41.7 ttt180 -53.11 -54.88 29.16 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.446 0.466 . . . . 0.0 110.484 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.624 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 13.6 t70 -56.13 -48.96 75.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.507 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.4 m -68.05 -33.43 74.55 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.146 -172.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.55 ' O ' HG23 ' A' ' 65' ' ' VAL . 15.4 m-30 -69.62 -35.97 75.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.001 0.429 . . . . 0.0 109.843 175.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 15.9 mm100 -66.07 -39.06 89.77 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 84.0 mm-40 -61.87 -48.16 81.77 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.237 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.06 -24.49 26.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.523 -176.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 61' ' ' PHE . 93.2 t -73.73 -23.84 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.407 0.622 . . . . 0.0 109.771 174.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -88.0 -36.05 17.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.35 0.595 . . . . 0.0 110.252 174.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.516 HD12 HD23 ' A' ' 72' ' ' LEU . 66.6 mt -89.76 29.4 1.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.086 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.582 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 99.3 mttt -34.51 108.62 0.07 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.356 0.662 . . . . 0.0 112.624 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.05 -18.34 26.23 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.823 -0.626 . . . . 0.0 113.179 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.473 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 32.3 mm-40 -95.17 142.19 27.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.0 t -77.67 114.72 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.173 175.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.516 HD23 HD12 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -112.21 113.77 26.19 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -178.32 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.821 ' HB2' ' HE ' ' A' ' 89' ' ' ARG . 32.5 p -91.26 121.95 33.46 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.062 0.458 . . . . 0.0 110.819 -176.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.455 HG21 HD23 ' A' ' 57' ' ' LEU . 4.0 p -116.65 131.12 70.2 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.883 0 CA-C-O 121.678 0.751 . . . . 0.0 110.113 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 20.1 ttt -114.86 124.96 53.07 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.838 -1.074 . . . . 0.0 109.726 -175.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -152.94 178.52 9.59 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.955 -172.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.59 ' HB3' ' HB3' ' A' ' 85' ' ' TRP . 10.8 mtm180 -106.56 107.16 18.03 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.019 0.437 . . . . 0.0 110.559 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.515 ' CD1' HG11 ' A' ' 33' ' ' VAL . 2.9 t80 -83.18 134.49 34.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.246 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.536 ' HG2' ' HA ' ' A' ' 83' ' ' GLN . 24.5 ttp180 -81.76 102.48 10.8 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.709 0.29 . . . . 0.0 110.842 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.498 ' HB3' ' HG2' ' A' ' 84' ' ' GLU . 47.8 t -58.55 173.54 0.39 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.97 172.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.44 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 18.9 tptm -70.99 -8.39 52.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.519 -173.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -99.12 9.16 44.04 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.536 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 2.2 mp0 64.31 44.42 4.31 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.849 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.498 ' HG2' ' HB3' ' A' ' 80' ' ' SER . 10.9 pt-20 -117.45 147.32 42.82 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.462 175.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.59 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 6.4 m95 -106.06 101.42 10.91 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 -172.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.547 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -104.11 157.28 17.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.742 0.306 . . . . 0.0 111.405 -176.397 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -78.47 110.68 13.77 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.233 0.54 . . . . 0.0 111.939 -173.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.574 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 2.3 tpp -121.57 130.84 53.78 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.122 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.821 ' HE ' ' HB2' ' A' ' 73' ' ' SER . 58.8 ttt180 -107.4 108.78 20.29 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 175.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.447 ' CG2' ' HB3' ' A' ' 108' ' ' CYS . 94.3 m -96.55 132.93 41.64 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.737 -177.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.519 ' OG ' ' HB ' ' A' ' 109' ' ' THR . 35.9 p -90.28 119.85 30.94 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 175.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.6 m -96.85 124.47 40.83 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.586 -175.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.661 ' HE2' ' HD1' ' A' ' 95' ' ' PHE . 61.7 t80 -127.25 135.02 50.03 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 171.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.682 ' HB ' HD12 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -93.19 111.29 22.89 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 109.722 -0.474 . . . . 0.0 109.722 174.725 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.661 ' HD1' ' HE2' ' A' ' 93' ' ' PHE . 9.8 t80 -72.86 95.26 1.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.178 0.513 . . . . 0.0 110.546 -174.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 . . . . . 0 C--N 1.321 -0.648 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.655 179.643 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.682 HD12 ' HB ' ' A' ' 94' ' ' THR . 49.4 mm . . . . . 0 N--CA 1.448 -0.55 0 CA-C-O 121.086 0.469 . . . . 0.0 109.943 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -58.45 -47.52 83.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.694 176.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.579 ' HE1' HD11 ' A' ' 107' ' ' ILE . 1.4 p90 179.97 -172.13 0.19 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 113.84 -1.527 . . . . 0.0 109.378 -178.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.462 HG13 ' HA ' ' A' ' 18' ' ' ILE . 45.3 mt -100.65 140.19 20.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.579 HD11 ' HE1' ' A' ' 105' ' ' TYR . 21.2 mm -110.38 111.48 36.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 178.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 91' ' ' SER . 57.0 m -121.75 121.93 38.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.3 0.571 . . . . 0.0 112.278 -172.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.519 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 30.5 m -93.48 121.19 34.63 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 169.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.574 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 4.0 m-20 -104.11 110.56 22.79 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -172.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.5 m -116.86 113.53 22.61 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.964 -177.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 88' ' ' MET . 4.7 t-20 -83.14 128.94 34.93 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 18.4 t . . . . . 0 C--N 1.322 -0.625 0 CA-C-O 121.218 0.532 . . . . 0.0 109.68 -178.221 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.446 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 33.5 Cg_exo . . . . . 0 CA--C 1.532 0.377 0 CA-C-O 120.762 0.234 . . . . 0.0 112.099 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m -88.14 25.72 1.54 Allowed 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.437 0.637 . . . . 0.0 111.389 -175.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.517 ' HG2' ' HA ' ' A' ' 111' ' ' THR . 47.5 mt-10 -128.67 135.16 48.89 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 171.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.45 ' HE1' ' HE1' ' A' ' 88' ' ' MET . 40.4 p90 -137.49 144.51 42.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.079 0.466 . . . . 0.0 111.039 178.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -102.9 127.66 56.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.043 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.8 m -131.87 131.75 43.04 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.59 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.0 mtm-85 -101.11 121.17 41.34 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.482 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -135.65 149.79 49.41 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.673 -173.551 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -73.34 156.88 37.94 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.8 pt -53.01 -21.03 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -168.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.512 ' HB2' HG12 ' A' ' 21' ' ' ILE . 40.1 mt-10 -70.35 -18.87 63.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.137 0.494 . . . . 0.0 110.509 176.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.33 3.82 33.08 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.48 -173.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.512 HG12 ' HB2' ' A' ' 19' ' ' GLU . 39.2 mm -84.42 120.07 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 122.169 0.188 . . . . 0.0 111.12 -171.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -73.29 130.14 39.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.701 0.286 . . . . 0.0 110.915 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.5 t -120.98 -16.94 7.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.01 0.434 . . . . 0.0 110.523 177.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -149.69 124.54 9.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.407 . . . . 0.0 109.961 172.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.577 ' HB ' ' HA ' ' A' ' 37' ' ' PRO . 78.1 t -128.68 139.07 52.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.459 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -82.68 148.64 27.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.408 0.623 . . . . 0.0 110.943 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -59.11 -18.94 40.07 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 114.947 -1.024 . . . . 0.0 113.231 -172.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.446 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 84.9 mtm180 -64.25 -8.47 12.79 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 111.726 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.1 t -59.57 -34.44 72.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.89 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.9 m -66.51 -36.39 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.069 -175.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.6 -46.8 18.48 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.843 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.7 m -59.69 -49.5 77.5 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.6 HG11 ' CD1' ' A' ' 78' ' ' PHE . 16.6 m -129.53 -21.72 1.42 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.185 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -172.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.98 -21.69 26.87 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 119.486 -1.34 . . . . 0.0 113.041 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.52 ' H ' HG23 ' A' ' 33' ' ' VAL . 17.1 m-85 -72.03 150.47 43.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.134 0.492 . . . . 0.0 110.38 178.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -98.59 153.92 37.73 Favored Pre-proline 0 C--N 1.31 -1.115 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 176.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.635 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 88.0 Cg_exo -43.2 -49.56 7.17 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.065 1.843 . . . . 0.0 111.451 175.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -54.37 -41.01 68.69 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.747 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -64.08 -31.65 72.91 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.06 -171.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.0 mt -89.36 -22.71 22.47 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.661 -177.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 52.7 mt -61.98 106.28 0.69 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.159 0.504 . . . . 0.0 111.195 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.54 -8.42 40.46 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.344 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -112.42 150.8 30.64 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 121.056 0.455 . . . . 0.0 110.01 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.538 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 17.2 t-20 -87.51 145.81 26.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.924 -176.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.6 tt -62.34 -28.27 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.388 175.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.0 p -72.09 -22.09 20.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-O 120.882 0.373 . . . . 0.0 110.455 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.538 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 5.1 mm-40 -64.98 -39.61 93.73 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.351 0.596 . . . . 0.0 109.793 177.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.507 ' HB3' ' HB3' ' A' ' 79' ' ' ARG . 40.0 m-85 -105.12 20.77 18.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.996 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.456 ' SG ' HD12 ' A' ' 57' ' ' LEU . 36.1 t -97.8 129.59 44.78 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.985 174.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 60.3 t60 -48.5 125.77 12.51 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.95 177.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 50' ' ' HIS . 83.2 Cg_exo -48.93 -25.15 8.22 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 124.154 3.236 . . . . 0.0 114.474 -173.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -87.89 -10.17 51.5 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.371 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -112.36 -3.47 14.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.96 0.41 . . . . 0.0 110.049 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -59.77 -45.3 92.7 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.19 -175.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -69.32 -36.14 76.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.299 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.84 -41.66 87.45 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.223 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 76' ' ' PHE . 12.8 mt -65.07 -47.14 78.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.535 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 66.8 mtt180 -58.11 -52.94 63.44 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 120.847 0.356 . . . . 0.0 110.629 -178.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -54.53 -44.35 72.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.099 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.7 m -76.23 -33.62 59.21 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.352 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.531 ' O ' HG12 ' A' ' 64' ' ' VAL . 10.9 m-30 -69.3 -32.55 71.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.06 0.457 . . . . 0.0 109.94 176.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 15.7 mm100 -65.18 -37.34 87.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.42 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 75.3 mt-30 -73.95 -28.84 61.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.447 -178.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 61' ' ' PHE . 9.0 p -72.87 -26.04 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.381 175.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.494 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 58.4 t -75.68 -28.69 19.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 171.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 63' ' ' GLN . 62.9 mtpt -78.49 -23.99 46.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.904 176.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.889 ' HB3' ' HB2' ' A' ' 70' ' ' GLN . 32.3 mt -85.28 -51.61 6.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.509 176.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.787 ' HG2' HD11 ' A' ' 103' ' ' ILE . 98.4 mttt 62.28 95.24 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.523 0.678 . . . . 0.0 112.145 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.85 -11.12 70.05 Favored Glycine 0 C--N 1.317 -0.522 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.365 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.889 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 2.6 mp0 -94.16 137.89 32.82 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.0 p -76.58 121.08 27.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.399 0.619 . . . . 0.0 110.393 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.532 HD23 ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -108.84 114.79 28.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.115 -179.437 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.1 m -91.79 120.93 32.96 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.076 0.465 . . . . 0.0 110.108 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.93 137.33 55.1 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 CA-C-O 121.67 0.747 . . . . 0.0 109.684 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 26.0 ttt -117.39 130.29 56.4 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.108 -172.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.46 ' CD1' HD21 ' A' ' 57' ' ' LEU . 15.5 p90 -152.95 179.28 8.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.602 -173.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 23.6 mtp180 -103.8 106.43 16.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.058 0.456 . . . . 0.0 110.305 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.6 ' CD1' HG11 ' A' ' 33' ' ' VAL . 24.0 t80 -86.09 140.57 30.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.408 -177.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.591 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 5.1 ttm180 -78.72 114.94 18.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.179 0.514 . . . . 0.0 111.384 -177.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 t -64.61 168.55 5.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.635 172.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -65.29 -17.87 64.85 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 121.34 0.591 . . . . 0.0 109.931 176.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -86.42 -1.97 58.03 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.59 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 28.8 mm-40 67.82 23.88 8.35 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 113.508 -1.678 . . . . 0.0 111.275 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.591 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 32.7 mm-40 -82.55 172.57 12.84 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 166.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -128.53 95.12 4.04 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -174.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.582 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -96.43 157.98 15.65 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -170.005 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -75.65 105.38 6.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.217 -0.902 . . . . 0.0 111.885 -177.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.569 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 4.0 tpp -121.85 133.97 54.88 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.718 177.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -109.49 109.18 19.92 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 174.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.451 ' CG2' ' HB3' ' A' ' 108' ' ' CYS . 89.1 m -93.93 131.16 39.65 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.98 -174.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.7 m -88.92 112.53 23.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.165 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.467 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 4.2 m -90.25 129.21 36.52 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.617 -175.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.564 ' HE1' ' HD1' ' A' ' 95' ' ' PHE . 36.6 t80 -129.36 135.18 48.39 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 172.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.53 ' HB ' HD13 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -102.76 111.96 24.52 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.007 0.432 . . . . 0.0 110.517 176.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.564 ' HD1' ' HE1' ' A' ' 93' ' ' PHE . 27.0 t80 -79.03 116.73 19.51 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.561 -173.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.431 ' NE2' ' HD3' ' A' ' 68' ' ' LYS . 64.4 mt-30 . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.717 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.787 HD11 ' HG2' ' A' ' 68' ' ' LYS . 67.1 mt . . . . . 0 N--CA 1.447 -0.612 0 CA-C-O 121.265 0.555 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.67 -41.28 16.45 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.931 -174.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -171.85 178.38 3.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.326 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.482 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 43.7 mt -105.18 143.26 16.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.64 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.3 mt -118.16 110.09 29.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.451 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 66.5 m -112.53 115.42 28.62 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.089 0.471 . . . . 0.0 112.246 -174.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.6 m -84.97 134.12 34.25 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 168.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.569 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 38.1 m-80 -115.32 111.36 20.76 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -171.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.517 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 37.6 m -108.3 107.83 18.59 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.352 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -79.36 117.29 20.2 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 31.8 t . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.958 -172.471 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 32.5 Cg_exo . . . . . 0 CA--C 1.531 0.365 0 CA-C-O 120.767 0.236 . . . . 0.0 112.308 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.444 ' HB ' ' HB3' ' A' ' 112' ' ' ASN . 5.6 p -88.64 28.76 1.08 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.041 0.448 . . . . 0.0 111.892 -178.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -137.22 134.32 36.11 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 172.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -136.53 147.5 47.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.074 0.464 . . . . 0.0 110.544 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.5 mt -107.22 130.13 59.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.3 m -136.15 149.89 48.82 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.109 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.583 ' HG2' HG12 ' A' ' 107' ' ' ILE . 99.3 mtt180 -110.48 130.71 55.5 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 176.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.518 ' HB3' ' HA ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -149.23 152.78 36.58 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.833 -172.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -76.56 157.0 32.38 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.499 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 32.2 pt -50.08 -30.24 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -165.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -81.21 2.6 27.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.335 0.588 . . . . 0.0 110.67 -177.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.91 5.4 50.56 Favored Glycine 0 N--CA 1.439 -1.13 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.821 175.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.9 mm -78.4 108.62 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 116.71 0.255 . . . . 0.0 110.896 -175.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.518 ' HA ' ' HB3' ' A' ' 16' ' ' HIS . 95.4 m-85 -71.48 122.96 21.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.814 0.34 . . . . 0.0 111.41 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 p -105.51 -27.51 11.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.723 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -140.0 117.84 11.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.236 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.706 HG21 ' HB3' ' A' ' 40' ' ' LEU . 94.7 t -124.14 135.45 63.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.701 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.419 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 13.1 t70 -81.76 149.45 28.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.53 0.681 . . . . 0.0 110.559 175.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.417 ' O ' HG22 ' A' ' 30' ' ' VAL . 18.8 m80 -58.79 -20.48 50.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.724 -1.125 . . . . 0.0 112.295 -173.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.43 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 91.1 mtt180 -66.31 -6.6 14.61 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.09 0.471 . . . . 0.0 111.18 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.446 ' SG ' HD22 ' A' ' 40' ' ' LEU . 44.8 t -60.24 -35.72 76.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.149 176.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.762 HG12 ' HA ' ' A' ' 36' ' ' GLN . 12.4 m -65.97 -33.29 62.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.547 -175.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.56 -51.4 9.35 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.901 0.381 . . . . 0.0 110.411 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 m -56.43 -55.76 29.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.839 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.0 m -133.86 20.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -168.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.0 -37.26 1.93 Allowed Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.36 -0.924 . . . . 0.0 114.416 174.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -70.55 137.16 49.88 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 121.421 0.629 . . . . 0.0 111.037 -173.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.762 ' HA ' HG12 ' A' ' 30' ' ' VAL . 50.2 mm-40 -75.99 154.24 84.78 Favored Pre-proline 0 C--N 1.31 -1.144 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 176.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.702 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 4.2 Cg_exo -44.37 -51.23 7.13 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 121.869 1.713 . . . . 0.0 110.978 175.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.446 ' CD ' ' H ' ' A' ' 38' ' ' GLN . 20.5 mp0 -59.77 -44.8 93.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.723 178.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -56.76 -33.87 67.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.762 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.706 ' HB3' HG21 ' A' ' 25' ' ' VAL . 13.9 tp -87.9 -25.62 23.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.735 -175.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 81.7 mt -59.45 117.77 5.24 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.465 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.74 -9.06 64.02 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.255 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -104.32 148.18 26.67 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.633 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 8.3 m120 -81.81 142.68 32.35 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.323 176.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.515 ' HB ' ' CE1' ' A' ' 22' ' ' PHE . 12.0 tt -62.47 -26.54 40.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.944 171.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.616 HG12 ' HB3' ' A' ' 44' ' ' ASN . 9.9 p -75.59 -23.8 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.659 178.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.633 ' HG2' ' HB2' ' A' ' 44' ' ' ASN . 62.6 mm-40 -71.5 -19.46 62.19 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.443 0.64 . . . . 0.0 110.179 178.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -120.61 33.93 5.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.553 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.4 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 48.9 t -108.81 143.76 37.55 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.496 176.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.644 ' NE2' ' HB2' ' A' ' 52' ' ' GLU . 49.5 t60 -49.14 117.71 6.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 167.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.422 ' HA ' ' CD ' ' A' ' 54' ' ' GLN . 86.6 Cg_exo -48.47 -32.96 21.91 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 124.126 3.217 . . . . 0.0 114.7 -171.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.644 ' HB2' ' NE2' ' A' ' 50' ' ' HIS . 32.5 mt-10 -81.98 -4.95 57.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.765 0.316 . . . . 0.0 111.261 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.45 ' CG ' ' HD2' ' A' ' 50' ' ' HIS . 84.4 m-20 -111.8 -1.23 15.66 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 176.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.422 ' CD ' ' HA ' ' A' ' 51' ' ' PRO . 66.8 mt-30 -68.65 -33.54 74.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.394 -178.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -72.17 -33.33 67.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.198 171.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.46 HD22 HG23 ' A' ' 74' ' ' VAL . 1.0 OUTLIER -59.58 -51.03 71.58 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.396 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.4 HD21 ' CD1' ' A' ' 76' ' ' PHE . 26.8 mt -60.23 -49.43 77.64 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.678 175.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.661 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 61.2 ttt180 -50.0 -56.65 9.86 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.702 0.626 . . . . 0.0 110.39 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.28 -49.02 79.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.504 -177.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.5 m -71.07 -27.83 63.91 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.321 -171.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.415 ' O ' HG23 ' A' ' 65' ' ' VAL . 4.9 m-30 -69.3 -33.5 73.27 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 175.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.661 ' HG3' ' O ' ' A' ' 58' ' ' ARG . 28.6 mt-30 -61.29 -44.29 97.47 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.425 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 2.9 mp0 -57.5 -45.45 84.91 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.518 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.438 HG11 ' HB3' ' A' ' 92' ' ' SER . 9.6 p -69.34 -29.66 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 119.901 -0.719 . . . . 0.0 111.215 -177.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.591 ' HA ' HG21 ' A' ' 94' ' ' THR . 89.3 t -74.21 -22.89 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.321 0.582 . . . . 0.0 110.121 176.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -91.9 -24.56 19.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.336 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.575 HD12 HD23 ' A' ' 72' ' ' LEU . 26.8 mt -77.77 -41.95 35.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.466 174.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.784 ' HG2' HD11 ' A' ' 103' ' ' ILE . 94.3 mttt 57.69 97.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.985 0.803 . . . . 0.0 113.048 174.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.56 2.97 72.18 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.186 176.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.498 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 26.1 mm-40 -110.91 142.02 43.55 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 92' ' ' SER . 7.2 p -77.59 124.1 35.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.33 0.586 . . . . 0.0 110.85 -178.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.575 HD23 HD12 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -114.24 113.76 25.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.48 -0.782 . . . . 0.0 108.978 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.432 ' HB3' ' HD2' ' A' ' 89' ' ' ARG . 47.4 m -94.16 121.16 35.37 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.593 -176.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.46 HG23 HD22 ' A' ' 56' ' ' LEU . 4.3 p -121.82 130.97 74.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.693 0.758 . . . . 0.0 110.247 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 21.1 ttt -115.25 126.08 54.1 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.377 -172.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.4 ' CD1' HD21 ' A' ' 57' ' ' LEU . 15.9 p90 -154.84 179.21 9.32 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.074 -172.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.594 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 44.1 mtt180 -98.83 109.9 22.59 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 177.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.459 ' O ' ' HA ' ' A' ' 85' ' ' TRP . 8.1 t80 -85.94 129.36 34.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.694 -176.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -84.14 97.91 9.61 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.062 0.458 . . . . 0.0 110.62 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.0 t -61.71 174.13 0.86 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.695 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 81' ' ' LYS . 45.2 tptt -61.62 -15.02 35.7 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.154 0.502 . . . . 0.0 111.131 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -95.83 2.81 53.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.695 -177.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 67.63 31.36 6.11 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.242 -175.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -101.09 132.26 46.62 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.896 176.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.459 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 17.4 m0 -108.11 81.56 1.51 Allowed 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.632 -0.427 . . . . 0.0 109.934 -171.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.594 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.0 OUTLIER -88.06 171.27 10.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.944 -173.078 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -84.48 106.43 16.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.463 0.649 . . . . 0.0 111.118 -176.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.56 ' HE1' ' HB3' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -126.9 138.03 53.24 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.292 -176.854 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.432 ' HD2' ' HB3' ' A' ' 73' ' ' SER . 43.5 ttp180 -111.02 119.0 37.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.001 0.429 . . . . 0.0 110.02 177.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.403 HG23 ' HB2' ' A' ' 108' ' ' CYS . 97.9 m -94.9 123.19 38.23 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.711 177.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.465 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 9.0 m -91.91 115.29 27.93 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 176.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.483 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 3.6 m -95.07 123.0 38.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.688 -173.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.528 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 53.3 t80 -121.86 134.56 54.88 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 171.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.591 HG21 ' HA ' ' A' ' 65' ' ' VAL . 1.0 OUTLIER -103.03 113.67 27.33 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.08 175.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.528 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 31.2 t80 -75.85 95.1 3.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.235 0.54 . . . . 0.0 111.175 -172.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.463 ' NE2' ' HB3' ' A' ' 68' ' ' LYS . 83.8 mt-30 . . . . . 0 N--CA 1.445 -0.676 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.249 169.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.784 HD11 ' HG2' ' A' ' 68' ' ' LYS . 51.8 mt . . . . . 0 CA--C 1.511 -0.549 0 CA-C-O 121.441 0.639 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.448 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 4.1 pt-20 -85.35 -37.64 19.67 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.122 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.425 ' CD2' ' HG3' ' A' ' 104' ' ' GLU . 22.5 p90 -167.19 177.58 6.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 63.1 mt -104.62 145.65 12.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.599 178.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.583 HG12 ' HG2' ' A' ' 15' ' ' ARG . 58.7 mt -115.27 113.25 42.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 174.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 91' ' ' SER . 22.3 p -109.66 126.18 53.39 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.372 0.606 . . . . 0.0 111.437 -174.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.432 ' HB ' ' HB2' ' A' ' 91' ' ' SER . 7.4 m -93.85 118.01 30.88 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 170.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.56 ' HB3' ' HE1' ' A' ' 88' ' ' MET . 17.5 m120 -109.11 110.52 21.78 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.196 -172.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.0 m -114.57 130.16 56.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.082 -175.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.444 ' HB3' ' HB ' ' A' ' 10' ' ' THR . 2.6 t-20 -87.06 111.53 20.99 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 33.3 t . . . . . 0 C--N 1.323 -0.575 0 CA-C-O 121.069 0.461 . . . . 0.0 109.927 -178.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 31.8 Cg_exo . . . . . 0 CA--C 1.532 0.383 0 N-CA-C 111.744 -0.137 . . . . 0.0 111.744 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.3 p -89.15 31.7 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.375 0.607 . . . . 0.0 111.177 -179.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 36.5 tt0 -140.2 134.29 30.93 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.667 ' HB3' ' HB2' ' A' ' 28' ' ' ARG . 32.2 p90 -139.35 141.54 37.64 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.303 0.573 . . . . 0.0 111.267 -178.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.6 mt -93.58 138.23 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.182 177.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 p -143.64 147.92 35.05 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.172 0.51 . . . . 0.0 111.76 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.473 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 7.7 mtp180 -110.48 121.31 45.0 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 175.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.569 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.4 OUTLIER -135.99 157.76 46.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.605 0.717 . . . . 0.0 112.625 -173.206 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.727 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 1.2 t-20 -69.04 148.31 50.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 113.804 -1.544 . . . . 0.0 109.761 176.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.5 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 35.7 pt -49.01 -29.71 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 O-C-N 124.519 1.137 . . . . 0.0 114.053 -170.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -81.91 -6.12 58.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.703 0.287 . . . . 0.0 111.471 -178.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.69 10.72 26.34 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.713 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.727 ' HB ' ' HB3' ' A' ' 17' ' ' ASN . 47.9 mm -81.11 123.08 37.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.999 0.399 . . . . 0.0 110.617 -174.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.614 ' CE2' ' HB ' ' A' ' 45' ' ' ILE . 63.3 m-85 -74.56 118.23 17.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.169 0.509 . . . . 0.0 111.469 -178.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.6 m -107.92 -31.56 7.94 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.12 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.473 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 89.5 t80 -145.74 125.89 13.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.123 176.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.58 137.56 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.758 0.313 . . . . 0.0 110.952 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.586 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 13.4 t70 -72.81 149.4 43.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.463 0.649 . . . . 0.0 111.338 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -50.1 -25.33 3.38 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.438 -1.255 . . . . 0.0 113.012 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.667 ' HB2' ' HB3' ' A' ' 12' ' ' PHE . 39.7 mtt180 -63.8 -12.46 35.87 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -175.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.5 t -56.1 -36.58 68.31 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.994 0.426 . . . . 0.0 111.688 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.814 HG12 ' HA ' ' A' ' 36' ' ' GLN . 5.2 m -64.96 -37.92 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 -175.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.2 -46.94 16.9 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.369 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.465 HG23 ' HB2' ' A' ' 112' ' ' ASN . 17.2 m -50.77 -50.19 56.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.498 177.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.634 HG11 ' CD1' ' A' ' 78' ' ' PHE . 18.4 m -132.27 -30.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -174.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.441 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 123.13 -26.11 6.2 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 119.827 -1.178 . . . . 0.0 113.362 -177.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.505 ' H ' HG23 ' A' ' 33' ' ' VAL . 24.3 m-85 -72.13 138.91 48.04 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.654 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.814 ' HA ' HG12 ' A' ' 30' ' ' VAL . 26.2 mm-40 -82.64 152.75 67.18 Favored Pre-proline 0 C--N 1.312 -1.037 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 174.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.708 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 80.1 Cg_exo -44.2 -50.53 7.63 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.004 1.802 . . . . 0.0 110.896 175.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.405 ' HG2' ' H ' ' A' ' 38' ' ' GLN . 13.4 mm-40 -52.86 -50.76 63.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.605 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -62.73 -31.95 72.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.579 -174.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 tp -82.9 -27.73 30.46 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.383 -176.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 81.0 mt -59.36 111.78 1.5 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.641 178.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.88 -22.1 15.0 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.223 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 8.0 mmpt? -97.13 138.72 34.2 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.607 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 31.1 t-20 -75.92 140.11 41.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.917 175.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.614 ' HB ' ' CE2' ' A' ' 22' ' ' PHE . 14.7 tt -59.31 -26.94 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.635 175.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.407 HG12 ' CG ' ' A' ' 44' ' ' ASN . 2.5 p -77.78 -16.45 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.929 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.607 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 55.8 mm-40 -66.43 -42.9 87.02 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.363 0.601 . . . . 0.0 109.706 175.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.673 ' HB3' ' HB3' ' A' ' 79' ' ' ARG . 43.8 m-85 -100.29 23.54 9.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.962 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 47.4 t -97.09 134.88 39.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.381 173.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.771 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 15.7 t-80 -56.61 127.8 73.78 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.29 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -52.69 -19.32 10.34 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 123.925 3.083 . . . . 0.0 115.159 -171.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.52 ' HG2' ' ND1' ' A' ' 50' ' ' HIS . 11.8 pt-20 -92.88 -14.21 27.94 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.847 -0.533 . . . . 0.0 111.015 -177.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.704 ' OD1' ' HB3' ' A' ' 50' ' ' HIS . 0.6 OUTLIER -120.47 8.51 10.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.415 0.626 . . . . 0.0 110.145 -177.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -64.34 -32.4 73.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.818 173.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -63.22 -35.08 79.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.145 176.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.98 -48.31 79.39 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.345 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 57' ' ' LEU . 17.4 mt -61.37 -40.5 94.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.747 176.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -59.98 -60.21 4.2 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.526 0.203 . . . . 0.0 110.563 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.679 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 26.6 t70 -61.17 -46.08 91.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.607 -177.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 98.0 p -65.05 -44.08 90.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.131 0.491 . . . . 0.0 111.384 -172.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.542 ' O ' HG23 ' A' ' 65' ' ' VAL . 10.2 m-30 -61.42 -39.97 92.72 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.202 178.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.524 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 9.3 mm100 -65.71 -40.77 92.57 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.711 176.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.679 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 84.8 mm-40 -63.04 -46.56 86.97 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.449 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.588 HG11 ' OG ' ' A' ' 92' ' ' SER . 7.8 p -67.7 -25.19 32.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.808 0.337 . . . . 0.0 111.121 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.796 ' HA ' HG21 ' A' ' 94' ' ' THR . 74.8 t -69.74 -32.87 53.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.54 0.686 . . . . 0.0 109.344 173.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 54.5 mtpt -80.12 -33.6 38.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.285 175.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 62.0 mt -86.03 30.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.704 -179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.87 ' HG2' HD11 ' A' ' 103' ' ' ILE . 96.7 mttt -28.06 108.71 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.56 -21.91 31.6 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.865 174.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -90.88 138.04 31.9 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.647 0.261 . . . . 0.0 110.42 -176.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.57 124.51 36.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.121 0.486 . . . . 0.0 110.259 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.411 HD13 HD12 ' A' ' 67' ' ' LEU . 12.9 tp -124.84 114.35 19.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.997 -176.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.496 ' HA ' ' HA ' ' A' ' 91' ' ' SER . 19.4 m -99.82 121.24 41.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.176 0.512 . . . . 0.0 111.08 -175.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.3 p -118.15 138.23 49.51 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.658 0 CA-C-O 121.861 0.838 . . . . 0.0 110.493 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 19.3 ttt -106.42 129.62 54.37 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.616 -175.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.472 ' CZ ' HD11 ' A' ' 45' ' ' ILE . 26.7 p90 -153.59 178.85 9.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.434 -176.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.771 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 17.4 mtt180 -105.83 110.42 22.71 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.64 0.257 . . . . 0.0 110.476 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CD1' HG11 ' A' ' 33' ' ' VAL . 3.3 t80 -84.89 136.74 33.51 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.742 ' HG2' ' HA ' ' A' ' 83' ' ' GLN . 36.8 ttt180 -83.17 106.72 15.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.234 0.54 . . . . 0.0 111.148 179.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.505 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 29.7 t -53.94 166.54 0.35 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.105 170.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.441 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 23.9 tptp -65.23 -10.53 32.59 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.359 0.599 . . . . 0.0 110.354 177.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -90.97 -1.43 57.82 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.742 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 27.8 mm-40 65.94 27.72 10.75 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 113.687 -1.597 . . . . 0.0 110.853 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.608 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 34.3 mm-40 -91.43 164.12 13.94 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.573 171.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.468 ' CG ' ' HD2' ' A' ' 50' ' ' HIS . 73.2 m95 -117.81 88.35 2.9 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.463 -173.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.489 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.2 pp -93.96 168.58 10.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.43 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -88.65 130.97 35.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.269 0.556 . . . . 0.0 110.876 -176.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.532 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 1.4 ttp -141.7 132.49 25.76 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.844 173.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -107.56 111.25 23.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.574 0.702 . . . . 0.0 109.392 174.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.8 m -96.58 130.35 43.78 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.948 -177.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.496 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 47.6 m -95.2 128.05 41.73 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.588 ' OG ' HG11 ' A' ' 64' ' ' VAL . 9.2 t -103.1 156.54 17.62 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.476 0.655 . . . . 0.0 110.686 -176.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 70.9 t80 -151.91 135.34 16.05 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.391 -1.277 . . . . 0.0 108.338 176.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.796 HG21 ' HA ' ' A' ' 65' ' ' VAL . 1.3 p -102.43 106.38 17.11 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 120.996 0.426 . . . . 0.0 110.321 177.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.485 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 18.1 t80 -69.86 111.86 5.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.133 -175.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.077 -179.904 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.87 HD11 ' HG2' ' A' ' 68' ' ' LYS . 61.5 mt . . . . . 0 CA--C 1.51 -0.59 0 CA-C-O 121.504 0.669 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -69.65 -48.35 60.17 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.19 -1.368 . . . . 0.0 109.424 -177.854 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -172.94 173.38 3.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.249 -176.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.569 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 44.6 mt -97.95 140.2 18.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 59.8 mt -112.79 108.85 26.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.0 p -106.47 117.46 34.1 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.237 0.541 . . . . 0.0 111.303 -176.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.0 m -93.66 120.43 33.92 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 173.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.532 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 35.4 m-80 -104.99 110.23 22.54 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -170.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 54.3 m -103.8 114.0 27.93 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.455 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.465 ' HB2' HG23 ' A' ' 32' ' ' THR . 3.0 t-20 -74.54 110.56 8.94 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.441 -0.888 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.852 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 22.9 Cg_exo . . . . . 0 CA--C 1.53 0.301 0 N-CA-C 111.688 -0.158 . . . . 0.0 111.688 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.54 34.09 0.76 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.512 0.672 . . . . 0.0 111.376 -175.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 26.9 tt0 -142.82 134.18 26.2 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 173.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -128.04 143.16 51.07 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.955 -178.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.1 mt -97.22 126.91 49.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.258 174.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.7 p -136.3 145.44 45.52 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.428 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.536 ' HD2' ' CE1' ' A' ' 105' ' ' TYR . 72.7 mtm180 -119.96 129.75 54.46 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.656 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 1.7 p-80 -134.82 162.39 32.51 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.144 0.497 . . . . 0.0 111.722 -174.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.27 154.2 39.06 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.5 pt -49.43 -27.61 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -168.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -73.23 -15.57 61.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.992 0.425 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.6 14.57 19.37 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.244 -176.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.6 mm -91.53 117.32 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 -175.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.457 ' CD2' ' HG ' ' A' ' 40' ' ' LEU . 88.4 m-85 -67.07 135.33 53.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.006 0.431 . . . . 0.0 111.729 -176.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.2 t -122.87 -28.39 4.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.08 177.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -139.8 121.84 15.71 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.481 176.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.7 t -124.72 133.72 68.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.239 178.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -83.58 148.92 26.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.395 0.617 . . . . 0.0 110.998 176.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.539 ' O ' HG22 ' A' ' 30' ' ' VAL . 51.9 m80 -48.56 -27.05 2.51 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 114.749 -1.114 . . . . 0.0 113.808 -174.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.852 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 77.7 mtt85 -61.78 -11.27 11.61 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -176.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 27.8 t -62.43 -33.32 74.57 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.761 0.315 . . . . 0.0 111.494 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 27' ' ' HIS . 30.3 m -60.35 -43.27 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.972 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.426 ' N ' HG23 ' A' ' 30' ' ' VAL . . . -74.54 -49.7 20.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.784 -176.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.2 m -53.26 -47.54 69.02 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.613 HG11 ' CD2' ' A' ' 78' ' ' PHE . 15.8 m -135.81 -29.15 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -173.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.405 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 112.94 -0.61 25.7 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 119.558 -1.306 . . . . 0.0 113.237 -178.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.546 ' H ' HG23 ' A' ' 33' ' ' VAL . 17.9 m-85 -90.49 114.78 27.04 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.12 175.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.437 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -68.06 144.55 97.09 Favored Pre-proline 0 C--N 1.31 -1.145 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 173.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.731 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 59.7 Cg_exo -41.6 -44.75 6.35 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.766 2.311 . . . . 0.0 113.528 -174.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -59.94 -42.79 94.78 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.884 0.373 . . . . 0.0 111.067 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -73.24 -2.59 22.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.795 -172.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.457 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 15.1 tp -111.74 -25.48 9.47 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.894 0.378 . . . . 0.0 110.476 177.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.731 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 85.1 mt -62.24 130.5 45.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.563 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.34 -21.9 42.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.548 174.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -108.39 155.67 20.29 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.628 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 8.0 t-20 -81.77 147.01 29.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 -175.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.472 HG13 ' HE1' ' A' ' 78' ' ' PHE . 12.4 tt -59.68 -38.35 75.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.379 174.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.546 ' HA ' ' HB2' ' A' ' 49' ' ' CYS . 97.8 t -67.16 -23.2 30.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.059 -176.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.628 ' HG3' ' HB3' ' A' ' 44' ' ' ASN . 43.4 mt-10 -67.71 -32.16 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.268 0.556 . . . . 0.0 109.993 178.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -104.49 20.25 18.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.034 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.546 ' HB2' ' HA ' ' A' ' 46' ' ' VAL . 46.1 m -109.57 129.73 55.56 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.775 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.408 ' ND1' ' HD2' ' A' ' 51' ' ' PRO . 57.9 t60 -49.44 125.01 15.31 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.29 -177.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.408 ' HD2' ' ND1' ' A' ' 50' ' ' HIS . 85.4 Cg_exo -49.62 -24.28 9.24 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 124.174 3.249 . . . . 0.0 114.864 -174.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -85.93 -8.06 58.26 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 122.26 -0.275 . . . . 0.0 111.244 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -112.91 7.98 18.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.033 0.444 . . . . 0.0 110.374 -176.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.512 ' HG2' HG13 ' A' ' 46' ' ' VAL . 74.9 mt-30 -70.06 -31.3 68.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.914 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.29 -46.23 81.23 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.2 mt -51.64 -50.55 60.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.803 173.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.47 HD11 ' SG ' ' A' ' 49' ' ' CYS . 96.2 mt -61.01 -41.52 96.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.148 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 83.6 mtt180 -55.69 -60.5 3.36 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.175 0.512 . . . . 0.0 110.047 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.503 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 11.3 t70 -58.3 -46.32 86.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.918 -173.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 65.6 p -68.19 -50.32 55.02 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.378 0.608 . . . . 0.0 111.041 -175.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.581 ' O ' HG23 ' A' ' 65' ' ' VAL . 12.5 m-30 -65.2 -37.55 87.66 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.103 -176.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 3.5 pt20 -77.08 -30.23 55.36 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.047 0.451 . . . . 0.0 110.463 -177.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 59' ' ' ASP . 93.7 mt-30 -78.95 -30.64 44.69 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.087 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' A' ' 92' ' ' SER . 9.9 p -72.87 -23.6 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.221 176.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.719 ' HA ' HG21 ' A' ' 94' ' ' THR . 79.8 t -69.81 -33.9 58.13 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 170.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -76.32 -32.42 58.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.455 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.63 HD12 HD13 ' A' ' 72' ' ' LEU . 47.0 mt -91.42 30.11 1.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.772 -178.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.613 ' HG2' HD11 ' A' ' 103' ' ' ILE . 99.4 mttt -31.26 115.45 0.14 Allowed 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -179.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.9 -16.37 55.99 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.162 -0.927 . . . . 0.0 112.351 176.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.462 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 45.8 mt-30 -99.73 137.55 38.04 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.544 ' HA ' ' O ' ' A' ' 92' ' ' SER . 41.5 t -83.96 128.04 39.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.003 178.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.63 HD13 HD12 ' A' ' 67' ' ' LEU . 10.6 tp -114.95 123.0 47.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.061 -177.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.9 t -96.04 122.23 38.64 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.881 0.372 . . . . 0.0 111.023 -174.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.6 p -132.4 136.8 55.64 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.596 0 CA-C-O 121.725 0.774 . . . . 0.0 110.378 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 23.8 ttt -110.93 129.91 55.74 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.578 -174.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.458 ' HE1' ' HG1' ' A' ' 90' ' ' THR . 32.4 p90 -154.08 178.92 9.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.725 -174.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 45.1 mtm180 -111.33 130.13 55.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.127 0.489 . . . . 0.0 111.2 178.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.613 ' CD2' HG11 ' A' ' 33' ' ' VAL . 10.5 t80 -105.86 146.61 29.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.594 -174.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -82.0 102.96 11.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.064 0.459 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.405 ' HB3' ' CG ' ' A' ' 84' ' ' GLU . 38.8 t -56.78 165.82 1.11 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.062 171.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.405 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 21.6 tptp -67.81 -9.05 41.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.702 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -98.96 6.94 46.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.765 178.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 68.57 19.5 8.64 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.319 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.405 ' CG ' ' HB3' ' A' ' 80' ' ' SER . 11.7 pt-20 -95.93 155.15 16.87 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.441 ' O ' ' HD2' ' A' ' 77' ' ' ARG . 75.2 m95 -116.18 97.95 6.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.957 0.408 . . . . 0.0 110.542 -172.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.549 HD11 HG12 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -97.43 168.05 10.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.704 -175.038 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -89.63 123.65 33.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.864 -175.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 9.3 ptp -137.03 150.66 48.23 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.297 171.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 89' ' ' ARG . 39.2 ttm180 -118.36 114.31 22.74 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 176.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.458 ' HG1' ' HE1' ' A' ' 76' ' ' PHE . 36.4 m -94.86 134.75 37.15 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.678 -175.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.4 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 14.6 m -92.55 116.76 29.29 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.976 174.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.544 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 5.9 m -93.59 130.9 39.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.465 -174.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -135.53 135.42 40.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.587 173.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.719 HG21 ' HA ' ' A' ' 65' ' ' VAL . 2.4 p -104.96 113.17 26.6 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.458 176.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -75.2 126.16 30.44 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 -176.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 . . . . . 0 C--N 1.321 -0.656 0 CA-C-O 121.362 0.601 . . . . 0.0 112.112 -171.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.687 HD12 ' HB ' ' A' ' 94' ' ' THR . 47.2 mm . . . . . 0 CA--C 1.513 -0.47 0 CA-C-O 120.734 0.302 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.426 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 5.9 pt-20 -74.08 -39.46 63.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.324 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.536 ' CE1' ' HD2' ' A' ' 15' ' ' ARG . 15.1 p90 -165.07 165.89 19.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.544 178.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.656 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 50.5 mt -104.8 141.53 20.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.442 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 62.0 mt -112.24 112.3 39.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.447 ' HG ' ' CE1' ' A' ' 16' ' ' HIS . 2.0 p -105.26 109.32 21.26 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.357 0.598 . . . . 0.0 110.959 -178.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.6 m -89.52 114.68 26.25 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 172.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -106.3 111.44 24.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.844 0.354 . . . . 0.0 110.233 -170.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.1 m -109.13 113.43 26.27 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.86 -176.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -82.45 131.64 35.22 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.448 -0.542 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.492 -176.896 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.82 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 23.7 Cg_exo . . . . . 0 N--CA 1.474 0.331 0 CA-C-O 120.655 0.19 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.5 m -83.9 10.6 9.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.606 0.717 . . . . 0.0 111.207 -174.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.651 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 8.5 pt-20 -126.42 134.36 51.02 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 173.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.437 ' CB ' ' HB2' ' A' ' 28' ' ' ARG . 37.9 p90 -119.88 143.05 48.14 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.296 -177.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.3 mt -93.55 115.06 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.067 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.4 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . 47.9 t -108.11 132.32 53.71 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.744 -174.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.479 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 7.6 mpt_? -105.41 113.77 27.55 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 173.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.406 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -140.51 151.49 44.83 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.059 -174.007 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -77.02 158.9 30.29 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.517 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 35.3 pt -49.99 -28.4 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -167.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.578 ' HB2' HG12 ' A' ' 21' ' ' ILE . 39.1 mt-10 -70.01 -13.54 62.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.83 0.348 . . . . 0.0 111.046 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.99 7.8 46.36 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -174.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.578 HG12 ' HB2' ' A' ' 19' ' ' GLU . 29.1 mm -86.55 124.23 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 -173.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CD2' ' HG ' ' A' ' 40' ' ' LEU . 90.8 m-85 -72.17 127.57 32.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.821 0.344 . . . . 0.0 111.484 -176.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 p -112.05 -35.2 5.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.041 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.479 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 70.8 t80 -144.67 121.84 11.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 0.0 110.113 177.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.426 ' HB ' ' HA ' ' A' ' 37' ' ' PRO . 90.4 t -122.23 137.73 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.939 0.4 . . . . 0.0 110.989 -177.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.606 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 11.6 t70 -81.42 149.23 28.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.75 176.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.5 ' O ' HG22 ' A' ' 30' ' ' VAL . 28.9 m170 -52.58 -20.71 3.19 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.82 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 90.5 mtt180 -57.47 -18.13 16.86 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.1 t -54.6 -35.01 62.91 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -176.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 27' ' ' HIS . 19.7 m -68.13 -31.39 51.53 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-O 120.888 0.375 . . . . 0.0 111.076 -178.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.9 -51.91 16.76 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.672 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.523 HG22 HG13 ' A' ' 33' ' ' VAL . 9.2 m -62.11 -56.07 22.55 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.586 HG11 ' CD1' ' A' ' 78' ' ' PHE . 16.6 m -136.78 22.91 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -170.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.4 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 75.35 -26.58 1.27 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 114.863 0.705 . . . . 0.0 114.863 172.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -70.91 146.04 49.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 117.58 0.69 . . . . 0.0 111.37 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.48 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -89.53 150.43 44.36 Favored Pre-proline 0 C--N 1.316 -0.869 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 172.464 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.757 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 84.9 Cg_exo -44.58 -51.2 7.4 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.347 2.032 . . . . 0.0 112.202 -178.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -54.94 -46.77 75.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.495 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.48 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 7.1 mm-40 -66.59 -22.38 66.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.782 -172.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.594 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 14.5 tp -90.45 -31.88 16.63 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.244 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.757 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 74.4 mt -60.41 120.39 9.8 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.94 -18.89 23.72 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.685 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.751 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -99.62 155.29 17.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.901 0.381 . . . . 0.0 110.62 178.746 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -90.69 144.06 26.11 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 170.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.49 HD11 ' HZ ' ' A' ' 76' ' ' PHE . 13.2 tt -57.89 -30.17 37.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.045 0.45 . . . . 0.0 110.031 175.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.488 HG13 ' HG2' ' A' ' 54' ' ' GLN . 95.4 t -61.66 -32.86 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.356 175.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.8 -35.29 80.13 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.09 0.472 . . . . 0.0 111.165 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -105.37 17.04 24.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.113 178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 53' ' ' ASP . 38.9 t -94.44 132.83 38.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.782 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.465 ' HB3' ' OD2' ' A' ' 53' ' ' ASP . 60.5 t60 -45.01 126.18 5.37 Favored Pre-proline 0 CA--C 1.53 0.184 0 O-C-N 123.879 0.737 . . . . 0.0 110.189 174.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.405 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 86.2 Cg_exo -49.36 -25.44 10.15 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 124.001 3.134 . . . . 0.0 114.929 -170.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -84.98 -10.35 57.12 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.48 -178.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.465 ' OD2' ' HB3' ' A' ' 50' ' ' HIS . 38.3 m-20 -109.0 -5.04 16.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.732 0.301 . . . . 0.0 110.333 -172.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.488 ' HG2' HG13 ' A' ' 46' ' ' VAL . 75.9 mt-30 -59.46 -38.78 81.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.985 0.422 . . . . 0.0 111.799 -176.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -38.43 78.85 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.4 tt -61.89 -43.24 99.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.513 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.76 -41.67 95.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.895 176.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.512 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 69.6 mtt85 -58.26 -50.79 72.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.916 0.388 . . . . 0.0 110.278 178.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.68 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 29.5 t70 -63.59 -39.45 94.42 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.179 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.0 p -65.06 -43.83 91.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.511 0.672 . . . . 0.0 110.239 -175.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 65' ' ' VAL . 11.6 m-85 -68.27 -40.48 81.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.658 -179.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.554 ' HG2' ' HA ' ' A' ' 59' ' ' ASP . 7.5 pt20 -73.94 -29.26 61.92 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.681 -177.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.68 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 76.3 mm-40 -63.72 -44.81 92.47 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.831 176.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 61' ' ' PHE . 9.4 p -69.68 -24.25 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.662 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 61' ' ' PHE . 81.3 t -71.09 -32.09 46.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.452 0.644 . . . . 0.0 109.688 173.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -74.02 -38.54 64.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.228 174.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.524 ' HB3' ' HB3' ' A' ' 70' ' ' GLN . 93.1 mt -71.47 -55.63 7.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.47 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.519 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 98.4 mttt 58.6 98.39 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.613 0.72 . . . . 0.0 112.247 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.45 -20.4 37.36 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.37 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.695 ' HA ' HE21 ' A' ' 70' ' ' GLN . 0.0 OUTLIER -90.32 133.55 34.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 92' ' ' SER . 44.5 t -76.52 117.79 21.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.038 0.446 . . . . 0.0 109.95 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.489 HD23 ' CD1' ' A' ' 67' ' ' LEU . 1.1 tm? -106.0 115.52 30.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.491 -175.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.3 p -89.42 122.25 32.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.795 0.331 . . . . 0.0 110.753 -178.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 p -118.74 130.27 73.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.274 0.559 . . . . 0.0 110.478 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 3.9 ttt -109.03 124.42 50.71 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.984 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.49 ' HZ ' HD11 ' A' ' 45' ' ' ILE . 15.4 p90 -160.07 179.0 9.12 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.078 -174.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.601 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 37.1 mtt180 -106.8 126.28 52.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.972 0.415 . . . . 0.0 111.272 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.586 ' CD1' HG11 ' A' ' 33' ' ' VAL . 4.4 t80 -103.95 144.05 32.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.371 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.588 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 4.3 ttm180 -81.43 107.18 13.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.026 0.441 . . . . 0.0 111.41 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.475 ' HB3' ' HB2' ' A' ' 84' ' ' GLU . 28.4 t -59.5 163.26 4.24 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.295 169.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.4 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 26.5 tptp -68.09 -10.78 56.62 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.424 176.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -94.5 6.79 47.73 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 177.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 64.02 34.03 11.72 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.576 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.588 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 16.0 mm-40 -90.01 173.65 8.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.122 -0.944 . . . . 0.0 109.02 170.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.456 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 73.0 m95 -139.78 87.25 2.15 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.601 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -97.27 160.24 14.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.296 0.569 . . . . 0.0 112.267 -171.785 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -78.97 122.2 25.87 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.874 -178.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 10.0 ptp -133.94 143.8 48.42 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.877 175.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.8 110.15 21.98 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.031 173.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' A' ' 109' ' ' THR . 69.2 m -94.79 130.65 41.25 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.86 178.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.606 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 12.7 p -93.55 126.44 38.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.733 176.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 4.6 m -103.36 128.89 50.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.825 0.345 . . . . 0.0 111.327 -176.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.42 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 35.0 t80 -133.89 135.4 43.62 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.327 172.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.704 ' HB ' HD12 ' A' ' 103' ' ' ILE . 30.3 p -94.15 108.74 20.57 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.488 177.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.42 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 3.1 t80 -77.97 98.83 5.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.165 0.507 . . . . 0.0 109.782 -177.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.734 ' HG2' HD13 ' A' ' 103' ' ' ILE . 52.5 mt-30 . . . . . 0 C--N 1.32 -0.683 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.538 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.734 HD13 ' HG2' ' A' ' 96' ' ' GLN . 11.6 mm . . . . . 0 CA--C 1.512 -0.481 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.86 -35.09 79.24 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.066 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.458 ' HE1' HD11 ' A' ' 107' ' ' ILE . 6.9 p90 -173.74 169.62 4.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.842 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.517 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 53.3 mt -98.57 143.79 12.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.278 177.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.458 HD11 ' HE1' ' A' ' 105' ' ' TYR . 34.0 mm -110.1 115.77 50.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.606 ' HA ' ' O ' ' A' ' 91' ' ' SER . 67.8 m -129.04 127.16 40.99 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.026 0.441 . . . . 0.0 111.595 -175.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.522 ' O ' ' HA ' ' A' ' 90' ' ' THR . 24.5 m -99.01 125.72 44.55 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 172.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -105.21 110.77 23.26 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -175.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.3 m -109.3 110.03 21.09 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.169 -173.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -81.09 114.02 19.66 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.449 -174.358 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HG2' ' NH1' ' A' ' 28' ' ' ARG . 37.8 Cg_exo . . . . . 0 C--O 1.232 0.178 0 N-CA-C 111.222 -0.338 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.43 16.2 3.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.13 0.491 . . . . 0.0 111.783 -171.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -125.02 134.64 52.49 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 173.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -129.07 144.31 51.15 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.719 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.588 HG12 HG23 ' A' ' 109' ' ' THR . 62.4 mt -100.35 126.6 53.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.207 176.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.6 p -132.54 146.69 52.11 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.192 0.52 . . . . 0.0 110.81 -177.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.557 ' HG2' HG12 ' A' ' 107' ' ' ILE . 55.3 mtm180 -119.7 132.07 55.56 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.434 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -141.45 149.44 40.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.373 -170.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -71.7 158.4 36.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.395 -178.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.8 pt -50.47 -26.66 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 -167.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -75.57 -10.61 59.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.873 0.368 . . . . 0.0 111.385 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.9 8.46 36.69 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 116.02 -0.537 . . . . 0.0 112.034 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.6 mm -84.81 117.05 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 120.374 0.131 . . . . 0.0 111.215 -172.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.503 ' CE2' ' HB ' ' A' ' 45' ' ' ILE . 96.0 m-85 -68.61 128.31 36.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.9 0.381 . . . . 0.0 111.319 -177.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 t -117.71 -25.86 6.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.588 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -142.07 123.94 15.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.345 177.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.427 ' CG1' ' HB2' ' A' ' 29' ' ' CYS . 92.7 t -136.12 137.27 48.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 120.696 0.284 . . . . 0.0 110.968 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -82.76 149.37 27.28 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 174.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.605 ' HA ' ' CG ' ' A' ' 37' ' ' PRO . 47.2 m80 -56.47 -14.98 3.46 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.969 0.908 . . . . 0.0 113.209 -171.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.472 ' NH1' ' HG2' ' A' ' 9' ' ' PRO . 36.4 mtt-85 -64.96 -12.96 55.71 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.893 0.377 . . . . 0.0 110.593 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.427 ' HB2' ' CG1' ' A' ' 25' ' ' VAL . 42.2 t -50.97 -38.67 52.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.316 176.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.582 HG12 ' HA ' ' A' ' 36' ' ' GLN . 3.9 m -65.08 -34.11 68.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.721 -176.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.23 -51.24 9.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.744 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 m -58.6 -54.28 48.88 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 177.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.682 ' O ' ' HA ' ' A' ' 80' ' ' SER . 9.7 m -121.08 -15.4 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -169.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.32 -35.97 4.59 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 119.213 -1.47 . . . . 0.0 113.101 177.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.544 ' H ' HG23 ' A' ' 33' ' ' VAL . 23.7 m-85 -71.02 143.75 50.66 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.939 0.399 . . . . 0.0 109.937 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.582 ' HA ' HG12 ' A' ' 30' ' ' VAL . 32.9 mm-40 -74.68 147.15 84.2 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 175.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.648 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 76.2 Cg_exo -48.6 -51.29 10.59 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 121.745 1.63 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.416 ' CD ' ' H ' ' A' ' 38' ' ' GLN . 28.1 mp0 -53.48 -46.6 70.05 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.209 -1.36 . . . . 0.0 112.194 175.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.501 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 24.1 mm-40 -61.51 -30.75 70.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.987 0.423 . . . . 0.0 110.788 -177.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 tp -83.45 -28.73 28.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.706 -177.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 79.4 mt -58.5 119.8 7.67 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.675 -179.001 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.84 -12.5 56.28 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.037 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.788 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -102.82 157.67 16.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.867 0.365 . . . . 0.0 110.468 178.407 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.6 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 13.1 t-20 -92.19 144.86 24.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.626 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.503 ' HB ' ' CE2' ' A' ' 22' ' ' PHE . 14.2 tt -62.96 -25.84 39.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.479 176.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.5 p -74.46 -23.12 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.747 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.6 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 59.9 mm-40 -63.59 -36.31 83.37 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.411 0.625 . . . . 0.0 109.915 177.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -111.04 18.23 19.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.363 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 39.3 t -89.04 138.09 31.73 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.682 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.583 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 55.7 t60 -48.81 123.6 11.99 Favored Pre-proline 0 C--N 1.334 -0.1 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.799 172.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -49.62 -27.25 14.34 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 124.134 3.223 . . . . 0.0 114.467 -172.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -88.48 -6.45 57.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -114.23 -1.36 13.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.333 . . . . 0.0 110.113 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -65.94 -39.05 90.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.481 -175.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.523 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 22.9 tm0? -73.03 -33.74 65.9 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.08 -41.72 93.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.103 176.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 57' ' ' LEU . 24.8 mt -64.06 -40.27 95.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.819 175.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.523 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 41.8 mtt180 -51.11 -61.41 2.24 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.341 0.591 . . . . 0.0 110.489 175.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.517 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 40.5 t0 -58.28 -41.09 83.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.392 -1.277 . . . . 0.0 111.131 -174.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m -75.79 -37.2 59.42 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.546 -175.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.56 ' O ' HG12 ' A' ' 64' ' ' VAL . 11.1 m-30 -72.26 -36.47 69.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.921 0.391 . . . . 0.0 110.472 -178.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 13.3 pt20 -71.04 -27.99 64.05 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.052 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 59' ' ' ASP . 73.9 mt-30 -71.01 -33.54 70.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.9 177.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 61' ' ' PHE . 7.3 p -73.91 -25.43 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.002 176.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.579 ' HA ' HG21 ' A' ' 94' ' ' THR . 67.4 t -71.95 -28.05 29.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.392 0.615 . . . . 0.0 109.382 171.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 28.3 mtpp -78.08 -38.24 44.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.988 176.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.561 ' HB3' ' HB3' ' A' ' 70' ' ' GLN . 58.6 mt -73.05 -53.03 12.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.457 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.573 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 93.7 mttt 60.39 90.06 0.06 Allowed 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.803 0.689 . . . . 0.0 112.188 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.13 -22.02 21.45 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.044 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.561 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 8.1 tp-100 -94.14 140.9 29.17 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 92' ' ' SER . 7.3 p -77.23 124.55 35.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.32 0.581 . . . . 0.0 110.894 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -109.67 118.94 37.89 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 p -95.74 120.88 36.78 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.083 0.468 . . . . 0.0 110.789 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.431 HG21 HD23 ' A' ' 57' ' ' LEU . 6.3 p -124.21 131.64 72.55 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.643 0 CA-C-O 121.749 0.785 . . . . 0.0 110.529 178.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 10.0 ttt -107.91 120.72 43.07 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.78 -176.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CZ ' HD11 ' A' ' 45' ' ' ILE . 11.1 p90 -148.66 178.46 8.62 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -175.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.583 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 62.9 mtt180 -111.72 120.85 43.4 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.589 177.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.667 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 3.3 t80 -86.17 148.54 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.7 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 33.8 ttp180 -84.77 109.33 17.99 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.558 177.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.682 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 31.4 t -57.09 166.13 1.15 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.771 174.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -65.3 -8.36 17.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.797 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -103.18 5.97 38.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.551 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 1.9 mp0 70.19 52.33 0.37 Allowed 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 122.69 1.233 . . . . 0.0 108.504 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.7 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -121.5 161.69 21.84 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 112.707 -2.042 . . . . 0.0 109.346 -171.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.401 ' CZ3' ' HA ' ' A' ' 50' ' ' HIS . 57.8 m95 -122.71 92.1 3.64 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.468 0.651 . . . . 0.0 111.23 -173.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.559 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -102.77 159.27 15.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.495 -176.67 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -85.22 130.38 34.62 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -174.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.667 ' SD ' ' HB2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -145.38 140.26 27.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.253 168.351 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -100.92 118.72 37.5 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 171.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.488 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 84.8 m -96.4 132.01 42.36 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.888 -178.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.4 m -90.25 115.08 27.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.436 174.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.452 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 2.7 m -95.76 131.42 42.07 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.551 -176.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.481 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 58.7 t80 -137.81 134.46 35.2 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.579 HG21 ' HA ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -95.62 112.23 24.0 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.065 0.46 . . . . 0.0 110.086 177.067 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.481 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 0.8 OUTLIER -79.88 95.03 5.95 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.297 0.57 . . . . 0.0 111.005 -171.787 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 . . . . . 0 N--CA 1.446 -0.631 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.215 171.301 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 54.5 mt . . . . . 0 CA--C 1.517 -0.289 0 CA-C-O 121.033 0.444 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.466 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 6.0 pt-20 -88.03 -39.07 14.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.218 176.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -173.85 -172.32 0.73 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.857 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.434 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 36.1 mt -107.59 148.74 11.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.677 178.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.557 HG12 ' HG2' ' A' ' 15' ' ' ARG . 57.8 mt -113.82 133.04 61.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.411 ' HB2' ' CG2' ' A' ' 90' ' ' THR . 6.1 p -137.38 119.6 15.64 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.389 0.614 . . . . 0.0 111.888 -177.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.588 HG23 HG12 ' A' ' 13' ' ' ILE . 6.8 m -94.64 136.23 35.19 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 171.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -121.91 110.54 15.98 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.219 -171.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 32.5 m -105.64 123.0 47.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.615 -176.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -76.92 121.02 22.85 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -179.794 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 111.849 -0.5 . . . . 0.0 111.849 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.08 65.4 1.1 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.187 0.517 . . . . 0.0 111.639 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.4 mmt -97.64 146.23 25.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.285 177.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.415 ' HA ' HG11 ' A' ' 30' ' ' VAL . 7.9 p-10 -71.21 -27.28 63.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.252 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.426 ' O ' ' HB ' ' A' ' 6' ' ' VAL . 39.9 m-80 57.22 33.02 22.69 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.758 0.661 . . . . 0.0 110.328 -178.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.518 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 99.2 t 74.37 122.98 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 O-C-N 124.157 0.911 . . . . 0.0 109.967 -171.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.0 p -49.65 128.85 18.64 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.54 0.686 . . . . 0.0 111.712 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.835 ' HB3' ' HG2' ' A' ' 28' ' ' ARG . 29.6 mm-40 -118.38 162.55 29.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.17 -172.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.635 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 37.4 Cg_exo -61.63 164.42 15.88 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 123.067 2.512 . . . . 0.0 111.824 168.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -90.23 25.91 2.06 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.381 0.61 . . . . 0.0 111.525 -175.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.636 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 34.0 tt0 -134.93 134.9 41.1 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 172.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -131.65 159.43 38.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.188 0.518 . . . . 0.0 111.636 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.9 mm -117.94 135.91 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.455 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.7 m -140.62 143.06 35.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.969 0.414 . . . . 0.0 111.434 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -99.66 126.04 45.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 174.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.656 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -140.95 149.49 41.9 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.469 -0.892 . . . . 0.0 112.859 -175.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.812 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 2.6 t-20 -62.86 146.94 51.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 113.733 -1.576 . . . . 0.0 109.319 173.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.414 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 27.1 pt -56.58 -21.75 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -170.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -84.68 2.1 43.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.308 0.575 . . . . 0.0 110.357 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.82 5.04 45.12 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.807 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.812 ' HB ' ' HB3' ' A' ' 17' ' ' ASN . 43.8 mm -78.94 115.12 20.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 CA-C-N 116.874 0.337 . . . . 0.0 110.982 -173.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 93.0 m-85 -69.84 121.72 17.83 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.111 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 m -100.39 -38.26 8.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.406 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -146.96 128.24 14.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.195 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.586 HG21 ' HB2' ' A' ' 40' ' ' LEU . 85.5 t -124.87 136.88 59.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.585 -177.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -82.8 148.17 27.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.084 175.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -56.37 -15.71 4.49 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 -171.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.835 ' HG2' ' HB3' ' A' ' 8' ' ' GLN . 84.6 mtm180 -64.75 -5.86 6.74 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 8.9 p -61.19 -35.28 76.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.437 176.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.415 HG11 ' HA ' ' A' ' 4' ' ' ASP . 20.9 t -68.2 -41.66 84.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.827 -176.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.56 -50.37 38.15 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.432 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.6 m -60.04 -55.06 38.63 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.517 HG11 ' CD1' ' A' ' 78' ' ' PHE . 11.5 m -137.69 26.48 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -170.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.71 -23.3 0.52 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 114.578 0.591 . . . . 0.0 114.578 173.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.462 ' HD1' ' HD3' ' A' ' 81' ' ' LYS . 10.7 m-30 -73.66 147.04 44.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.344 0.592 . . . . 0.0 110.827 -172.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -89.36 159.14 45.08 Favored Pre-proline 0 C--N 1.311 -1.104 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.616 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 52.9 Cg_exo -51.79 -46.52 31.58 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 121.605 1.537 . . . . 0.0 110.549 178.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.419 ' CD ' ' H ' ' A' ' 38' ' ' GLN . 24.2 mp0 -56.11 -37.12 68.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.233 -1.349 . . . . 0.0 111.504 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -63.14 -32.61 74.03 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.968 -172.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.586 ' HB2' HG21 ' A' ' 25' ' ' VAL . 3.0 mm? -85.59 -30.35 23.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.444 -178.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 55.3 mt -61.62 107.03 0.74 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.059 0.457 . . . . 0.0 111.575 -172.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.21 -5.49 33.89 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.135 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.887 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 11.0 mmpt? -106.82 154.08 21.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.632 0.253 . . . . 0.0 110.834 -179.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.614 ' HB3' HG12 ' A' ' 46' ' ' VAL . 10.0 m120 -84.0 137.21 33.72 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 170.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.497 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 13.9 tt -59.17 -20.46 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.159 0.505 . . . . 0.0 110.165 172.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.614 HG12 ' HB3' ' A' ' 44' ' ' ASN . 8.7 p -76.57 -15.49 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.589 ' HG3' ' HB2' ' A' ' 44' ' ' ASN . 46.1 mt-10 -74.21 -34.89 63.85 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.316 0.579 . . . . 0.0 109.926 176.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -101.33 11.78 38.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.235 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.421 ' SG ' ' HA ' ' A' ' 54' ' ' GLN . 52.5 t -89.51 139.17 30.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.409 177.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.886 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 17.4 t-80 -48.78 123.91 12.13 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.441 174.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.491 ' HA ' ' HG3' ' A' ' 54' ' ' GLN . 10.0 Cg_endo -52.56 -18.99 9.34 Favored 'Trans proline' 0 N--CA 1.478 0.565 0 C-N-CA 123.866 3.044 . . . . 0.0 114.662 -173.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -94.31 -6.41 44.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.15 -0.344 . . . . 0.0 111.383 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -124.25 3.66 8.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.862 0.363 . . . . 0.0 110.303 -175.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.491 ' HG3' ' HA ' ' A' ' 51' ' ' PRO . 79.0 mt-30 -63.6 -39.68 95.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.049 0.452 . . . . 0.0 110.615 -177.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -72.29 -32.74 66.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.461 176.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.5 tp -59.35 -44.26 92.68 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.283 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.432 HD21 ' CD1' ' A' ' 76' ' ' PHE . 14.5 mt -61.69 -46.41 89.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.551 174.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.576 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 66.4 ttt180 -56.92 -54.01 51.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.476 -177.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -55.44 -44.98 76.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.282 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.0 m -73.5 -35.32 65.62 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.306 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.47 ' O ' HG12 ' A' ' 64' ' ' VAL . 6.5 m-30 -66.36 -34.6 78.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.296 0.57 . . . . 0.0 109.793 177.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 16.8 mm100 -65.55 -36.19 83.07 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.74 176.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -73.85 -32.71 63.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.609 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 61' ' ' PHE . 10.5 p -69.49 -29.2 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.529 175.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 61' ' ' PHE . 55.2 t -74.76 -21.5 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.374 0.607 . . . . 0.0 109.781 173.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.558 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 56.2 mtpt -79.46 -45.45 19.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.54 174.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 72' ' ' LEU . 73.6 mt -68.42 -50.86 49.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.005 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.476 ' HB3' ' OE1' ' A' ' 96' ' ' GLN . 97.3 mttt 61.93 98.46 0.03 OUTLIER 'General case' 0 C--O 1.236 0.386 0 O-C-N 123.988 0.805 . . . . 0.0 112.299 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.89 -17.91 53.55 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.277 176.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.445 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 5.8 tp-100 -91.8 137.61 32.22 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 92' ' ' SER . 4.6 p -76.69 120.54 27.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-O 121.45 0.643 . . . . 0.0 109.777 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 67' ' ' LEU . 16.0 tp -117.45 116.03 26.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.431 -175.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.414 ' HB2' ' HD2' ' A' ' 89' ' ' ARG . 59.3 p -89.38 125.21 35.05 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.08 0.467 . . . . 0.0 111.104 -174.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.7 p -126.01 133.27 69.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.527 0.68 . . . . 0.0 109.929 174.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.7 ttt -112.76 127.57 56.19 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.322 -173.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.432 ' CD1' HD21 ' A' ' 57' ' ' LEU . 11.7 p90 -152.28 179.22 8.72 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.299 -173.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.886 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 75.6 mtt180 -104.97 116.41 31.91 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 176.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.517 ' CD1' HG11 ' A' ' 33' ' ' VAL . 8.6 t80 -90.37 136.52 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.715 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 43.9 ttp180 -82.9 102.59 11.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.151 0.5 . . . . 0.0 110.815 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.717 ' HB3' ' HG2' ' A' ' 84' ' ' GLU . 48.4 t -62.64 175.17 0.84 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.866 174.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.462 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 44.7 tptt -70.81 3.08 3.49 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.438 0.637 . . . . 0.0 110.768 -178.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -106.94 7.07 29.77 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.503 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 2.3 mp0 61.69 31.77 18.53 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.138 -1.392 . . . . 0.0 109.816 176.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.717 ' HG2' ' HB3' ' A' ' 80' ' ' SER . 15.6 pt-20 -100.13 160.18 14.52 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 113.747 -1.57 . . . . 0.0 109.343 177.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.53 ' CH2' ' HD3' ' A' ' 79' ' ' ARG . 59.7 m95 -116.76 84.25 2.11 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.359 0.599 . . . . 0.0 110.306 -176.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.55 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -90.44 160.69 15.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.168 -176.071 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -85.83 112.31 20.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.281 0.563 . . . . 0.0 111.721 -173.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.619 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 1.4 ttp -125.94 139.32 53.54 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.532 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.414 ' HD2' ' HB2' ' A' ' 73' ' ' SER . 51.6 ttp180 -108.26 118.32 36.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.852 175.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.1 m -95.02 124.49 39.09 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.492 176.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.517 ' HB2' ' HB ' ' A' ' 109' ' ' THR . 68.1 m -92.0 118.71 31.04 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 172.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 6.3 m -91.51 132.9 35.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.891 -171.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -138.82 135.67 34.83 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.363 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.599 ' HB ' HD13 ' A' ' 103' ' ' ILE . 32.3 p -105.52 115.72 30.73 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 176.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -77.89 105.2 8.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.02 0.438 . . . . 0.0 109.946 -177.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.476 ' OE1' ' HB3' ' A' ' 68' ' ' LYS . 54.4 mt-30 -103.42 143.38 32.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.141 -178.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.407 ' C ' ' H ' ' A' ' 99' ' ' TYR . 50.0 m-80 -98.17 111.09 58.66 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.159 170.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.71 32.19 0.19 Allowed 'Trans proline' 0 N--CA 1.475 0.412 0 C-N-CA 123.881 3.054 . . . . 0.0 113.979 -173.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.407 ' H ' ' C ' ' A' ' 97' ' ' ASN . 10.6 m-85 -115.71 -42.44 3.11 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.7 t -117.21 1.43 12.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.908 176.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 59.37 26.38 15.25 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.143 -178.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -95.76 156.62 16.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.79 -175.29 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.599 HD13 ' HB ' ' A' ' 94' ' ' THR . 90.8 mt -107.9 126.81 64.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.03 178.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.469 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 5.6 pt-20 -82.95 -41.13 19.19 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.984 177.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -164.37 168.3 18.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.693 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.656 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 55.9 mt -99.39 147.57 7.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 174.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.6 mt -109.96 115.59 50.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 54.7 m -90.01 102.8 15.51 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.816 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.517 ' HB ' ' HB2' ' A' ' 91' ' ' SER . 46.9 m -90.09 109.63 20.68 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 168.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.619 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 6.0 m-20 -112.65 110.66 20.94 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.995 0.426 . . . . 0.0 110.865 -169.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.1 m -112.95 115.53 28.56 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.942 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -85.49 125.88 33.39 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.439 ' HB ' ' H ' ' A' ' 114' ' ' LYS . 9.8 t -101.75 -90.33 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.262 -175.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.439 ' H ' ' HB ' ' A' ' 113' ' ' VAL . 58.1 mtpt -88.66 172.54 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.631 0.729 . . . . 0.0 111.617 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -134.94 154.03 51.85 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.717 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.2 t -145.67 43.59 1.27 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.145 0.498 . . . . 0.0 109.985 -175.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -164.16 -43.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -174.352 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -79.33 78.99 5.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.687 0.279 . . . . 0.0 111.25 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.531 -179.859 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.694 ' HB3' ' HG2' ' A' ' 38' ' ' GLN . . . -136.98 144.78 43.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.534 0.207 . . . . 0.0 110.487 179.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.8 ptm 175.71 -32.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.334 -177.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -83.45 74.87 10.05 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.611 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -109.31 113.71 26.77 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.524 -173.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.0 p -148.95 152.13 12.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.21 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.5 m 66.47 45.8 2.04 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.53 0.519 . . . . 0.0 111.844 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.78 ' HG3' ' HA ' ' A' ' 28' ' ' ARG . 5.5 pm0 -118.63 142.79 32.2 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.233 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 8' ' ' GLN . 23.3 Cg_exo -66.36 163.8 30.77 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.485 2.79 . . . . 0.0 112.116 175.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.57 6.66 9.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.69 -176.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.801 ' HG2' ' HA ' ' A' ' 111' ' ' THR . 45.9 mt-10 -110.61 134.77 52.11 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 173.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -116.07 134.62 54.75 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.447 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 13' ' ' ILE . 4.5 mp -105.98 127.65 60.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.196 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.2 m -140.07 148.23 41.46 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.521 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -105.44 122.58 46.29 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.563 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.4 OUTLIER -131.33 152.62 50.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.72 0.771 . . . . 0.0 112.464 -172.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.61 148.81 51.12 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 113.596 -1.638 . . . . 0.0 109.656 178.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.2 pt -52.68 -21.48 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -170.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -87.12 -3.59 59.08 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.936 0.398 . . . . 0.0 110.783 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.79 13.79 28.78 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.916 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.3 mm -91.14 123.78 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 116.961 0.381 . . . . 0.0 111.039 -175.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.43 ' HE2' ' HA ' ' A' ' 45' ' ' ILE . 96.7 m-85 -74.65 120.33 20.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.888 0.375 . . . . 0.0 110.925 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.6 p -110.08 -30.41 7.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.079 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -139.07 119.84 14.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.195 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.8 t -127.5 135.94 61.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.748 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -89.21 150.93 22.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.158 0.504 . . . . 0.0 110.602 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.447 ' O ' HG22 ' A' ' 30' ' ' VAL . 72.9 m80 -54.63 -15.21 1.65 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -171.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.78 ' HA ' ' HG3' ' A' ' 8' ' ' GLN . 50.1 mtt180 -62.15 -12.06 17.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.967 0.413 . . . . 0.0 110.82 177.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 32.5 t -50.61 -40.04 51.7 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.954 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 27' ' ' HIS . 19.4 m -67.21 -34.38 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 111.612 -175.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.73 ' HB2' HE21 ' A' ' 8' ' ' GLN . . . -69.82 -51.9 29.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.681 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.439 HG23 ' HB2' ' A' ' 112' ' ' ASN . 3.3 m -69.13 -53.86 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.733 HG12 ' HE1' ' A' ' 88' ' ' MET . 18.4 m -123.75 9.76 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -168.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.2 -30.38 1.61 Allowed Glycine 0 CA--C 1.523 0.556 0 C-N-CA 120.666 -0.778 . . . . 0.0 113.94 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.471 ' HD1' ' HD3' ' A' ' 81' ' ' LYS . 22.9 m-85 -70.9 147.75 48.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.273 0.558 . . . . 0.0 111.276 -174.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.641 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 75.8 mm-40 -79.79 146.95 65.57 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 169.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.694 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 88.1 Cg_exo -46.48 -46.32 17.58 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 121.996 1.798 . . . . 0.0 111.357 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.694 ' HG2' ' HB3' ' A' ' 2' ' ' ALA . 21.2 mm-40 -54.94 -49.85 70.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.416 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.641 ' HG3' ' HB2' ' A' ' 36' ' ' GLN . 37.3 mt-10 -62.18 -29.23 70.22 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.948 -175.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 tp -83.89 -28.94 27.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.5 -177.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 75.1 mt -62.6 106.63 0.81 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.053 0.454 . . . . 0.0 110.913 178.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.91 -13.15 12.99 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.207 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.77 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -99.38 152.72 19.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.841 0.353 . . . . 0.0 110.276 177.287 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.585 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 9.4 t-20 -86.77 141.7 28.67 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 173.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.437 HG12 ' SG ' ' A' ' 49' ' ' CYS . 13.2 tt -55.95 -42.04 69.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.576 176.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.5 t -63.07 -25.02 37.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 122.842 0.457 . . . . 0.0 111.701 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.585 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 35.2 mm-40 -68.56 -29.6 68.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.48 0.657 . . . . 0.0 110.324 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -100.84 13.23 35.69 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.083 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.437 ' SG ' HG12 ' A' ' 45' ' ' ILE . 75.3 m -105.93 120.9 42.94 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.239 172.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.587 ' CD2' ' HB2' ' A' ' 77' ' ' ARG . 7.7 p80 -62.21 153.26 75.78 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.001 0.429 . . . . 0.0 111.195 -172.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 50' ' ' HIS . 33.8 Cg_exo -47.0 -54.16 5.35 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 124.329 3.353 . . . . 0.0 115.179 -160.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 1.9 pm0 -78.86 -4.93 52.1 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -170.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -102.25 -6.2 23.42 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.05 0.452 . . . . 0.0 109.943 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -65.96 -34.64 78.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.775 -177.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -66.58 -40.06 88.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.747 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.6 mt -57.17 -50.62 72.25 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.437 175.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.1 mt -62.81 -38.79 92.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.646 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.583 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 94.7 mtt180 -57.33 -58.84 6.5 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.785 176.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.628 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 9.0 t70 -61.46 -43.15 99.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.73 -176.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 63' ' ' GLN . 79.1 p -70.55 -41.69 72.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.231 0.538 . . . . 0.0 111.383 -174.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.47 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.0 m-85 -61.85 -35.23 77.67 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.948 174.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 32.1 mm-40 -65.39 -38.35 89.71 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 174.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.628 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 34.4 mm-40 -58.45 -48.88 79.3 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.34 179.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.644 HG11 ' OG ' ' A' ' 92' ' ' SER . 10.2 p -69.21 -25.32 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.191 -177.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.636 ' HA ' HG21 ' A' ' 94' ' ' THR . 57.0 t -71.71 -42.9 70.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.831 0.348 . . . . 0.0 110.202 177.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -77.52 -18.9 56.57 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.633 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 37.5 mt -73.65 -56.9 4.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.924 174.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.785 ' HG2' HD11 ' A' ' 103' ' ' ILE . 98.6 mttt 62.12 96.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.267 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.44 -6.34 57.59 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.927 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.514 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 27.6 mm-40 -103.09 137.99 40.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.591 0.234 . . . . 0.0 110.663 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 92' ' ' SER . 60.5 t -77.33 123.82 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.186 178.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -113.78 121.2 43.33 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -177.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.3 m -100.0 121.67 41.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.991 0.424 . . . . 0.0 110.905 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.4 p -134.23 136.67 52.96 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.752 0 CA-C-O 121.51 0.672 . . . . 0.0 110.214 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.6 ttt -113.06 134.08 54.69 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.751 -172.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.455 ' HE1' ' OG1' ' A' ' 90' ' ' THR . 30.0 p90 -155.61 179.77 8.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.482 -174.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.587 ' HB2' ' CD2' ' A' ' 50' ' ' HIS . 14.6 mtt180 -112.75 122.86 48.89 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 177.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.434 ' HD2' ' CE2' ' A' ' 76' ' ' PHE . 6.8 t80 -100.44 151.46 21.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.838 -175.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -90.29 115.57 27.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.633 0.254 . . . . 0.0 110.681 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.48 ' HB3' ' CG ' ' A' ' 84' ' ' GLU . 32.4 t -74.17 179.42 4.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.954 0.407 . . . . 0.0 111.038 177.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.471 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 22.2 tptm -68.37 -10.78 57.43 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.345 0.593 . . . . 0.0 110.304 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -99.08 6.74 46.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.673 -177.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 64.59 21.64 12.47 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.77 -178.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.48 ' CG ' ' HB3' ' A' ' 80' ' ' SER . 10.4 pt-20 -92.28 158.1 16.3 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.395 174.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.495 ' CE3' ' HB3' ' A' ' 50' ' ' HIS . 94.8 m95 -114.94 107.29 15.2 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.831 0.348 . . . . 0.0 110.404 -177.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -109.22 155.44 21.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.008 0.433 . . . . 0.0 111.868 -178.056 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -84.36 127.0 33.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.941 -176.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.733 ' HE1' HG12 ' A' ' 33' ' ' VAL . 18.1 ptp -145.39 150.47 36.61 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.23 0.538 . . . . 0.0 111.098 174.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -105.96 123.59 48.23 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.046 176.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 109' ' ' THR . 49.6 m -94.24 125.44 38.88 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.277 0.56 . . . . 0.0 110.702 175.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.2 m -96.05 112.28 24.06 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 172.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.644 ' OG ' HG11 ' A' ' 64' ' ' VAL . 7.0 t -94.7 156.14 16.54 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.593 0.711 . . . . 0.0 110.616 -175.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.495 ' HB3' ' HB ' ' A' ' 107' ' ' ILE . 60.2 t80 -155.95 134.14 11.44 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.206 -1.361 . . . . 0.0 107.877 175.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.641 ' HB ' HD13 ' A' ' 103' ' ' ILE . 2.5 p -104.17 108.43 19.81 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.158 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -76.48 110.51 11.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.926 -172.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.576 ' NE2' ' HD3' ' A' ' 68' ' ' LYS . 70.6 mt-30 -93.3 126.46 38.43 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.611 176.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -62.91 117.8 36.06 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 173.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.77 -13.75 23.65 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.875 2.383 . . . . 0.0 113.326 -175.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -108.74 8.42 26.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.532 -177.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.537 ' HB2' ' HG2' ' A' ' 102' ' ' GLU . 19.0 m -146.35 -21.34 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -177.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.71 14.58 9.2 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.533 0.733 . . . . 0.0 111.561 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' A' ' 100' ' ' SER . 11.9 pt-20 -99.01 157.56 16.25 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.785 HD11 ' HG2' ' A' ' 68' ' ' LYS . 89.3 mt -96.0 114.04 31.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.441 0.639 . . . . 0.0 110.274 -177.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.465 ' HG2' ' H ' ' A' ' 104' ' ' GLU . 3.7 pt-20 -76.55 -39.8 51.7 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.079 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.44 ' CD2' ' HG3' ' A' ' 104' ' ' GLU . 22.4 p90 -166.06 168.16 15.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.985 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.563 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 45.8 mt -98.88 145.63 9.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.778 175.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.495 ' HB ' ' HB3' ' A' ' 93' ' ' PHE . 52.4 mt -100.17 122.99 52.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 9.9 t -110.59 99.18 8.2 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.029 -174.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' A' ' 90' ' ' THR . 25.7 m -103.24 122.41 44.7 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 174.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 11' ' ' GLU . 4.1 m-20 -118.56 116.01 25.75 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.509 -172.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.801 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 23.1 m -94.92 119.49 33.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.925 -178.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.439 ' HB2' HG23 ' A' ' 32' ' ' THR . 2.9 t-20 -79.22 110.43 14.48 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.8 t -98.88 -92.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.199 0.523 . . . . 0.0 110.095 -178.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -101.71 179.93 4.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.949 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -127.65 134.51 49.63 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 172.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.5 t -81.02 -28.14 35.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.82 -172.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.1 t -178.04 131.6 0.14 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.676 0.274 . . . . 0.0 110.922 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -74.94 -10.9 59.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.963 172.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.514 -0.755 . . . . 0.0 110.714 -176.001 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 112.18 -0.368 . . . . 0.0 112.18 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.2 57.0 6.29 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.154 0.502 . . . . 0.0 111.074 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.503 ' HB2' HD21 ' A' ' 5' ' ' ASN . 92.3 mmm -79.33 161.11 26.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.635 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -86.2 105.4 16.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.344 0.593 . . . . 0.0 110.861 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.626 ' HB3' HG21 ' A' ' 30' ' ' VAL . 14.7 m-80 -140.41 136.6 33.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.105 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.5 p -170.26 132.84 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.539 0.209 . . . . 0.0 110.799 175.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.3 t 54.84 57.04 6.0 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.369 0.604 . . . . 0.0 110.557 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.71 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 14.2 mm100 -95.6 142.17 24.21 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.354 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.638 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 23.7 Cg_exo -64.78 153.04 79.81 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.718 2.279 . . . . 0.0 110.885 172.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.49 ' HB ' ' HB3' ' A' ' 112' ' ' ASN . 12.7 p -87.34 31.43 0.74 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.462 0.649 . . . . 0.0 111.909 -174.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 40.0 tt0 -131.31 132.93 44.88 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 168.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -137.62 142.02 41.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.024 0.44 . . . . 0.0 110.524 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.9 tt -94.68 137.97 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.397 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.2 p -136.84 135.8 38.23 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.624 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.484 ' HG2' HG12 ' A' ' 107' ' ' ILE . 91.1 mtt180 -112.17 133.63 54.19 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.592 ' HB3' ' HA ' ' A' ' 22' ' ' PHE . 1.6 p-80 -148.2 165.77 29.93 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.494 0.664 . . . . 0.0 112.531 -173.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.61 153.15 35.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.643 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.542 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 42.6 pt -50.83 -30.71 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -167.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -69.98 -17.18 63.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.728 0.299 . . . . 0.0 111.029 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.81 12.95 13.3 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.218 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.2 mm -90.85 110.36 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.612 0.206 . . . . 0.0 110.567 -175.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.62 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 97.8 m-85 -68.6 135.08 50.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.96 0.41 . . . . 0.0 111.938 -173.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 p -118.54 -21.24 8.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.162 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -147.12 122.72 10.46 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.643 176.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 40' ' ' LEU . 94.2 t -130.89 136.81 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.777 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.404 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 13.1 t70 -86.29 148.22 25.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.176 0.513 . . . . 0.0 110.907 177.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.4 ' O ' HG22 ' A' ' 30' ' ' VAL . 56.7 m80 -50.89 -22.08 2.03 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.607 -1.179 . . . . 0.0 113.857 -175.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.638 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 74.4 mtt180 -66.01 -5.83 10.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.929 0.395 . . . . 0.0 111.714 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 18.8 p -63.77 -36.54 84.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.478 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.626 HG21 ' HB3' ' A' ' 5' ' ' ASN . 32.8 m -63.0 -31.31 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 120.954 0.407 . . . . 0.0 110.941 -177.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.71 ' HB2' ' HB2' ' A' ' 8' ' ' GLN . . . -79.16 -51.95 8.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.706 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.446 HG23 ' HB2' ' A' ' 112' ' ' ASN . 2.7 m -60.13 -51.51 69.29 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 80' ' ' SER . 22.1 m -130.48 5.67 2.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -168.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.06 -34.39 3.23 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.08 -1.057 . . . . 0.0 113.696 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -72.12 144.68 48.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.957 0.408 . . . . 0.0 111.222 -175.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -89.38 162.77 35.99 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.694 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 82.0 Cg_exo -46.98 -51.8 8.74 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.248 1.965 . . . . 0.0 112.327 -178.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -62.02 -38.96 90.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.591 -178.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.93 -36.45 72.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.754 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.588 ' HG ' ' CD1' ' A' ' 22' ' ' PHE . 10.1 tp -88.77 -20.86 24.2 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.741 -174.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 64.1 mt -70.33 95.54 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.672 178.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 130.39 -25.95 4.21 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.934 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -107.79 136.15 48.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.915 0.388 . . . . 0.0 110.275 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.571 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 31.5 t-20 -73.33 143.85 46.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.068 -173.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.62 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 15.2 tt -61.76 -26.45 39.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.53 175.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.2 t -75.44 -24.63 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.481 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.571 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 40.9 mm-40 -68.42 -27.67 66.4 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.433 0.635 . . . . 0.0 109.724 175.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -108.38 14.0 25.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.24 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.585 ' SG ' HD12 ' A' ' 57' ' ' LEU . 20.5 t -89.53 132.9 34.84 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.014 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 25.4 t-80 -44.77 123.17 4.79 Favored Pre-proline 0 C--O 1.225 -0.21 0 O-C-N 123.786 0.679 . . . . 0.0 109.212 173.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.409 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 87.1 Cg_exo -49.03 -27.68 12.41 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.834 3.022 . . . . 0.0 114.432 -173.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -90.42 -5.14 56.47 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 122.369 -0.207 . . . . 0.0 111.368 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -109.69 -5.53 15.6 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -174.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.409 ' OE1' ' HA ' ' A' ' 51' ' ' PRO . 44.2 mt-30 -64.28 -36.62 84.68 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.576 -173.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -70.36 -37.75 74.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.288 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tt -62.2 -48.28 80.72 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.585 HD12 ' SG ' ' A' ' 49' ' ' CYS . 13.9 mt -61.92 -41.77 98.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.554 175.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.479 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 71.1 ttt180 -57.07 -53.06 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.748 0.309 . . . . 0.0 110.196 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.63 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 5.2 t0 -59.29 -48.32 82.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.589 -179.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.6 m -70.31 -33.52 71.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.237 -172.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.508 ' O ' HG23 ' A' ' 65' ' ' VAL . 12.4 m-30 -67.75 -38.37 83.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.874 ' HA ' HE21 ' A' ' 62' ' ' GLN . 0.0 OUTLIER -65.16 -38.86 91.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.607 175.516 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.63 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 84.2 mm-40 -58.8 -52.04 67.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.661 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.495 HG11 ' HB3' ' A' ' 92' ' ' SER . 13.6 p -65.59 -29.41 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.13 -177.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.586 ' HA ' HG21 ' A' ' 94' ' ' THR . 81.7 t -69.5 -28.39 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.357 0.598 . . . . 0.0 110.03 176.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -82.53 -32.86 28.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.325 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 90.4 mt -70.72 -52.52 20.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.808 178.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.622 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 97.1 mttt 57.48 93.48 0.03 OUTLIER 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.677 0.751 . . . . 0.0 112.188 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.35 -24.11 16.61 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.275 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.482 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 6.3 tp-100 -86.28 129.26 34.91 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -178.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 92' ' ' SER . 51.8 t -77.7 110.87 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.658 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.432 HD13 ' CD1' ' A' ' 67' ' ' LEU . 15.4 tp -101.09 129.68 47.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.546 -173.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.3 m -90.25 121.81 32.61 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.787 0.327 . . . . 0.0 110.395 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.519 HG21 HD23 ' A' ' 57' ' ' LEU . 7.6 p -129.42 131.78 67.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.597 0.713 . . . . 0.0 110.1 174.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.3 ttt -113.72 131.42 56.19 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.168 -174.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.462 ' HE1' ' OG1' ' A' ' 90' ' ' THR . 8.0 p90 -160.07 178.73 9.39 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.922 -175.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.697 ' HB3' ' HB3' ' A' ' 85' ' ' TRP . 45.4 mtt180 -106.37 117.07 33.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.876 0.369 . . . . 0.0 111.014 176.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.54 ' O ' HD12 ' A' ' 86' ' ' LEU . 9.4 t80 -92.36 135.03 34.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.433 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 1.7 ttm180 -77.96 109.24 11.84 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.246 177.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.982 ' HB3' HD11 ' A' ' 86' ' ' LEU . 72.0 p -68.24 178.77 1.78 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.222 0.534 . . . . 0.0 111.347 176.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -75.39 1.84 12.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.127 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -108.49 8.86 27.53 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 68.34 11.74 8.47 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 114.486 -1.234 . . . . 0.0 112.115 177.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -101.11 149.8 23.59 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.697 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 22.4 m95 -103.52 105.4 15.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.215 -170.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.982 HD11 ' HB3' ' A' ' 80' ' ' SER . 0.0 OUTLIER -92.25 160.39 15.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.593 -174.631 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -88.69 118.22 28.22 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.013 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.451 ' HE1' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -132.05 144.94 51.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.074 174.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -104.45 110.32 22.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.653 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.462 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 75.8 m -94.5 131.43 40.23 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.627 -175.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 20.9 m -91.29 118.03 30.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.628 175.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.495 ' HB3' HG11 ' A' ' 64' ' ' VAL . 6.1 m -96.28 129.62 43.56 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.73 -177.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 85.3 t80 -139.46 135.76 33.9 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.689 174.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.717 ' HB ' HD12 ' A' ' 103' ' ' ILE . 38.6 p -104.66 109.07 20.85 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 175.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.534 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 3.5 t80 -73.38 105.03 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.939 0.399 . . . . 0.0 110.804 -173.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.612 ' HG2' HD13 ' A' ' 103' ' ' ILE . 55.2 mt-30 -91.63 130.37 37.45 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.231 175.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -64.32 117.45 37.14 Favored Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 171.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.415 ' HG2' ' CD2' ' A' ' 99' ' ' TYR . 17.7 Cg_endo -59.68 -13.66 22.83 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 123.062 2.508 . . . . 0.0 113.237 -174.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.415 ' CD2' ' HG2' ' A' ' 98' ' ' PRO . 86.2 m-85 -115.82 9.79 15.16 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.363 -176.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.2 t -145.06 -16.31 0.51 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.27 0.0 1.94 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.5 0.72 . . . . 0.0 112.674 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.565 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 14.0 pt-20 -83.03 156.11 23.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.767 0.318 . . . . 0.0 110.968 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.717 HD12 ' HB ' ' A' ' 94' ' ' THR . 35.0 mm -88.62 113.25 25.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.712 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -66.86 -43.45 83.56 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -177.9 177.7 1.04 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.521 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.563 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 58.6 mt -101.57 143.78 14.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 176.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.484 HG12 ' HG2' ' A' ' 15' ' ' ARG . 62.0 mt -119.78 112.82 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.426 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 87.5 m -114.36 111.78 22.02 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.611 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 90' ' ' THR . 26.0 m -87.65 131.46 34.44 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 173.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.497 ' O ' ' HA ' ' A' ' 11' ' ' GLU . 43.1 m-80 -118.12 112.8 20.66 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.491 -171.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.6 m -105.5 121.32 43.7 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.476 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.49 ' HB3' ' HB ' ' A' ' 10' ' ' THR . 3.8 t-20 -82.12 122.59 28.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 19.0 t -95.08 -97.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.616 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.48 26.36 4.45 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.212 -173.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 53.3 -148.4 0.45 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -173.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.576 ' HA ' ' HA ' ' A' ' 86' ' ' LEU . 27.9 p -78.18 -37.27 46.1 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 118.168 0.44 . . . . 0.0 111.147 -177.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 72.8 m 57.96 33.61 23.38 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.339 0.59 . . . . 0.0 110.624 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -106.65 80.77 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.582 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' A' ' 119' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.016 -0.993 . . . . 0.0 110.496 -178.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.814 0 N-CA-C 112.079 -0.408 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.51 152.62 18.45 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.486 -0.19 . . . . 0.0 110.486 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 86.5 mmm 59.29 35.1 23.23 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.36 0.6 . . . . 0.0 110.53 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -119.03 83.29 2.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.448 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.818 ' HB3' ' HB3' ' A' ' 27' ' ' HIS . 2.8 p30 -171.24 93.81 0.17 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.47 0.652 . . . . 0.0 111.984 -173.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.1 t -124.04 125.43 70.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.14 177.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.0 m 57.77 77.47 0.28 Allowed 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.597 0.561 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.899 ' HA ' HE21 ' A' ' 8' ' ' GLN . 0.0 OUTLIER -116.52 151.95 47.62 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -174.55 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -58.62 155.64 35.92 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.103 2.535 . . . . 0.0 112.331 174.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.11 6.93 23.53 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -174.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -100.13 143.54 30.21 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 172.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -142.16 152.79 43.53 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.288 -0.965 . . . . 0.0 111.496 173.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.5 mm -112.56 128.42 69.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.092 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.5 m -141.86 150.26 41.34 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.038 0.447 . . . . 0.0 111.024 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -112.15 125.82 54.54 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -139.5 145.42 38.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.008 -177.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.638 ' OD1' ' HB ' ' A' ' 21' ' ' ILE . 23.9 p-10 -79.98 171.23 15.38 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -177.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.9 pt -56.89 -30.01 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -162.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.2 -1.15 39.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.16 0.505 . . . . 0.0 110.435 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.01 27.25 14.11 Favored Glycine 0 N--CA 1.439 -1.116 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.737 177.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.638 ' HB ' ' OD1' ' A' ' 17' ' ' ASN . 39.0 mm -95.63 119.36 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 117.228 0.514 . . . . 0.0 110.206 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.616 ' CE1' ' HB ' ' A' ' 45' ' ' ILE . 95.6 m-85 -79.35 123.88 27.9 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.907 0.384 . . . . 0.0 111.267 -176.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.1 p -105.13 -27.04 11.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.918 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -142.28 125.02 15.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.17 176.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.424 ' HB ' ' HB3' ' A' ' 37' ' ' PRO . 95.7 t -128.13 133.93 66.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -76.25 149.49 37.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.527 0.68 . . . . 0.0 110.991 175.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.818 ' HB3' ' HB3' ' A' ' 5' ' ' ASN . 43.2 m80 -54.51 -26.4 31.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.688 -1.142 . . . . 0.0 113.139 -171.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.69 ' HG2' ' HB3' ' A' ' 8' ' ' GLN . 59.5 mtt85 -70.61 -2.24 13.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.254 0.346 . . . . 0.0 111.806 -175.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.4 t -56.99 -35.82 69.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.032 0.444 . . . . 0.0 110.476 174.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.595 HG12 ' HA ' ' A' ' 36' ' ' GLN . 5.1 m -70.72 -27.83 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.38 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.75 ' HB2' ' HB2' ' A' ' 8' ' ' GLN . . . -74.62 -50.1 19.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.815 -178.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.704 HG21 HD21 ' A' ' 110' ' ' ASN . 7.7 m -68.26 -54.03 20.41 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 179.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.545 HG11 ' CD1' ' A' ' 78' ' ' PHE . 30.4 m -129.13 21.24 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -168.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 81' ' ' LYS . . . 72.63 -29.79 0.73 Allowed Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.889 -0.672 . . . . 0.0 114.521 174.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -71.46 138.17 48.81 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.271 0.558 . . . . 0.0 111.243 -175.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.595 ' HA ' HG12 ' A' ' 30' ' ' VAL . 54.0 mm-40 -76.42 152.87 83.78 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.805 173.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.729 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 82.7 Cg_exo -47.83 -48.38 16.22 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 121.827 1.685 . . . . 0.0 110.898 174.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -56.16 -44.37 79.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.018 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.438 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 9.8 mm-40 -59.46 -33.13 70.91 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.155 -176.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.507 ' HG ' ' CD1' ' A' ' 22' ' ' PHE . 12.3 tp -89.3 -25.06 21.86 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.061 -174.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.729 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 79.1 mt -62.78 112.17 2.43 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.205 0.526 . . . . 0.0 111.432 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.13 -10.71 37.03 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.667 177.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.436 ' HD3' ' HZ ' ' A' ' 48' ' ' PHE . 64.6 mttp -105.33 159.72 15.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.141 0.496 . . . . 0.0 110.987 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.509 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 15.7 m120 -89.06 130.43 35.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.685 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.616 ' HB ' ' CE1' ' A' ' 22' ' ' PHE . 13.0 tt -60.15 -24.62 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.324 174.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.7 t -70.3 -31.1 45.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.76 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.509 ' HG2' ' HB2' ' A' ' 44' ' ' ASN . 26.4 mm-40 -71.87 -31.12 66.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.11 0.481 . . . . 0.0 110.317 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.436 ' HZ ' ' HD3' ' A' ' 43' ' ' LYS . 71.1 m-85 -96.82 6.02 49.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.3 176.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 52.5 t -89.38 139.25 30.7 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.629 175.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 40.0 t-80 -44.55 125.61 4.86 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.849 175.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -50.53 -29.24 24.06 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 124.014 3.143 . . . . 0.0 114.298 -171.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -89.77 -5.25 57.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.96 0.409 . . . . 0.0 111.342 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -116.29 5.57 13.63 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -63.76 -47.62 80.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.52 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -66.93 -32.15 73.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.58 176.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -59.57 -46.53 88.65 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.443 HD21 ' CD1' ' A' ' 76' ' ' PHE . 11.3 mt -63.63 -49.76 72.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.008 175.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.601 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 74.7 ttt180 -52.16 -56.66 13.15 Favored 'General case' 0 CA--C 1.519 -0.234 0 O-C-N 123.41 0.444 . . . . 0.0 110.634 -177.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.759 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 29.6 t70 -55.27 -50.35 69.74 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.981 -179.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 m -68.19 -31.77 71.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.18 -171.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.469 ' O ' HG23 ' A' ' 65' ' ' VAL . 15.9 m-30 -70.89 -36.2 72.64 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.722 -0.474 . . . . 0.0 109.722 174.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.601 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 83.1 mm-40 -66.0 -36.74 84.1 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 176.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.759 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 20.2 mm-40 -61.7 -45.04 95.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.334 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.583 HG11 ' OG ' ' A' ' 92' ' ' SER . 14.5 p -70.87 -26.38 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.74 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.562 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 58.9 t -71.88 -27.84 28.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.339 0.59 . . . . 0.0 109.711 173.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 66.0 mttm -85.16 -22.98 28.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.255 175.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.712 HD11 HD23 ' A' ' 72' ' ' LEU . 35.8 mt -76.04 -52.48 10.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.621 175.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 96.7 mttt 49.08 80.54 0.06 Allowed 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.969 0.793 . . . . 0.0 111.798 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.58 -35.26 2.44 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.627 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.486 ' HB2' HD13 ' A' ' 67' ' ' LEU . 23.0 mt-30 -93.95 144.3 25.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -177.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.4 t -77.98 127.19 38.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.394 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.712 HD23 HD11 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -117.56 114.8 23.96 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.609 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.466 ' HA ' ' O ' ' A' ' 90' ' ' THR . 49.1 m -104.47 120.3 40.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.329 0.585 . . . . 0.0 110.715 -175.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.3 p -115.64 137.39 49.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.459 -177.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.4 ttt -111.23 126.47 54.91 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.732 -174.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.443 ' CD1' HD21 ' A' ' 57' ' ' LEU . 15.8 p90 -156.72 179.0 9.69 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.483 -172.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.678 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 64.7 mtp180 -109.7 114.11 27.43 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.174 0.511 . . . . 0.0 110.877 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.545 ' CD1' HG11 ' A' ' 33' ' ' VAL . 2.9 t80 -92.68 136.56 33.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.068 -176.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.515 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 21.9 ttm180 -79.12 119.16 21.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.484 0.659 . . . . 0.0 111.357 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.5 t -73.94 166.83 22.66 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.193 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.444 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . 48.3 tptt -69.39 -9.45 53.57 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.825 175.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -97.91 7.0 47.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 62.97 32.63 15.46 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.944 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.515 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 43.2 mt-10 -90.68 161.29 15.44 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.62 172.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.53 ' O ' ' HB3' ' A' ' 116' ' ' SER . 88.0 m95 -124.87 80.56 1.88 Allowed 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.678 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.1 pp -85.26 161.97 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.507 0.67 . . . . 0.0 112.213 -171.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.458 ' CZ2' ' HD2' ' A' ' 77' ' ' ARG . 89.2 m95 -94.2 117.58 30.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.01 -176.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 14.8 ptp -132.49 147.21 52.36 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.579 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -108.59 112.96 25.59 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 173.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 109' ' ' THR . 88.6 m -94.09 124.33 38.03 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.68 -178.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.6 m -91.39 120.3 32.13 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 176.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.583 ' OG ' HG11 ' A' ' 64' ' ' VAL . 7.9 t -96.33 157.11 16.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.563 0.696 . . . . 0.0 110.973 -173.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -158.54 134.83 9.27 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.306 -1.316 . . . . 0.0 108.256 175.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.502 HG22 HG12 ' A' ' 106' ' ' ILE . 73.9 p -107.45 108.24 19.49 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.115 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.44 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 2.4 t80 -72.33 118.82 15.7 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.471 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 51.0 mt-30 -98.04 138.32 35.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.688 -174.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -55.5 115.9 10.49 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.495 168.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.55 -9.91 10.12 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.902 2.401 . . . . 0.0 113.697 -171.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -120.85 -6.51 9.59 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.475 -178.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.5 m -130.59 -11.58 3.94 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -173.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 61.05 7.09 1.42 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.002 0.521 . . . . 0.0 112.376 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.471 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 9.6 mm-40 -77.25 155.24 32.27 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.461 HD13 ' HB ' ' A' ' 94' ' ' THR . 76.7 mt -96.82 119.2 44.57 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-O 121.401 0.62 . . . . 0.0 110.637 -176.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -73.11 -46.04 53.57 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.852 177.799 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -168.15 157.06 9.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.453 -1.249 . . . . 0.0 109.588 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.502 HG12 HG22 ' A' ' 94' ' ' THR . 66.8 mt -92.57 142.97 12.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 174.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 61.7 mt -111.55 106.42 20.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.9 p -98.0 112.57 24.46 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.183 0.516 . . . . 0.0 111.312 -173.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 90' ' ' THR . 47.1 m -86.31 127.65 34.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.449 174.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.704 HD21 HG21 ' A' ' 32' ' ' THR . 5.6 t30 -103.14 117.55 34.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.818 -0.174 . . . . 0.0 110.978 -177.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.3 m -115.66 104.54 11.79 Favored 'General case' 0 N--CA 1.444 -0.747 0 O-C-N 124.244 0.965 . . . . 0.0 108.962 171.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -82.68 122.65 28.42 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.843 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.441 ' HB ' ' H ' ' A' ' 114' ' ' LYS . 9.6 t -92.92 -91.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.05 -178.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.441 ' H ' ' HB ' ' A' ' 113' ' ' VAL . 0.0 OUTLIER -122.19 172.04 8.56 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.554 177.566 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -111.76 141.95 44.72 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.031 0.443 . . . . 0.0 110.98 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.53 ' HB3' ' O ' ' A' ' 85' ' ' TRP . 42.8 t -90.66 115.48 27.79 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.082 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.7 t -81.6 56.51 3.01 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.637 ' HA ' HE21 ' A' ' 118' ' ' GLN . 0.1 OUTLIER 55.52 48.7 18.23 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.457 -175.452 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 . . . . . 0 C--O 1.247 0.969 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.408 -176.879 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.56 -175.85 5.09 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.1 mmt -100.2 135.4 41.69 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -63.19 114.23 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.519 0.676 . . . . 0.0 111.312 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -165.11 142.57 6.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.938 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.5 p -175.99 144.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.721 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.3 m 57.54 58.64 3.66 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.298 0.57 . . . . 0.0 111.614 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -118.54 161.83 33.59 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.223 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -48.12 153.29 2.91 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.416 2.744 . . . . 0.0 113.449 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.12 22.24 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.583 0.706 . . . . 0.0 110.618 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -133.87 133.71 41.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.354 176.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -133.8 141.22 47.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.226 0.536 . . . . 0.0 111.193 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.1 mt -100.11 132.69 45.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.493 175.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.9 p -136.56 149.25 47.99 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.229 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -109.63 134.84 51.48 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.625 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 1.4 p-80 -142.44 158.57 43.55 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.855 -178.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -74.49 151.89 39.47 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.41 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 20.7 pt -49.93 -26.62 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -166.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -74.24 -10.02 59.19 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.79 7.56 33.55 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.578 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.444 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 30.3 mm -85.25 118.55 32.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 110.577 -0.157 . . . . 0.0 110.577 -173.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -67.26 123.85 21.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 111.421 -176.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 p -107.51 -32.3 7.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.805 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -150.53 132.99 15.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.619 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.415 ' O ' ' HB3' ' A' ' 37' ' ' PRO . 90.6 t -129.55 138.48 54.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.657 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -78.6 149.01 33.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.287 175.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.409 ' O ' HG22 ' A' ' 30' ' ' VAL . 68.2 m80 -56.66 -20.64 22.48 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.801 -173.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -62.76 -7.16 4.46 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.901 0.381 . . . . 0.0 111.683 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.9 t -58.68 -37.11 75.34 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 176.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 27' ' ' HIS . 20.8 m -66.7 -35.51 74.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.943 -176.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.05 -50.93 14.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.45 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 m -54.53 -48.92 71.4 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.683 ' HB ' ' HA ' ' A' ' 80' ' ' SER . 13.2 m -132.28 -28.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -173.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.55 -20.93 11.9 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 119.521 -1.323 . . . . 0.0 112.826 -177.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.52 ' H ' HG23 ' A' ' 33' ' ' VAL . 16.1 m-85 -71.31 138.91 49.69 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.753 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 65.1 mm-40 -78.41 148.25 73.51 Favored Pre-proline 0 C--N 1.308 -1.211 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 171.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.494 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 88.0 Cg_exo -46.42 -44.85 20.07 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.167 1.911 . . . . 0.0 111.269 177.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -59.11 -38.49 79.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.484 -1.234 . . . . 0.0 111.527 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.753 ' HG3' ' HB2' ' A' ' 36' ' ' GLN . 41.8 mt-10 -67.52 -26.94 66.58 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.916 0.389 . . . . 0.0 110.936 -173.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.6 mt -79.71 -32.5 41.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.818 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 30.9 mt -64.93 108.39 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.513 -177.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.12 -22.92 7.43 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.668 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -108.94 177.9 4.63 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.699 0.761 . . . . 0.0 111.552 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.515 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 30.6 t-20 -110.69 145.95 37.1 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.537 -1.21 . . . . 0.0 109.549 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.7 tt -61.7 -24.4 33.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.289 176.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.6 t -71.73 -25.9 25.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.472 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.515 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 68.9 mm-40 -62.91 -35.25 79.45 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.32 0.581 . . . . 0.0 110.257 177.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -105.82 11.57 31.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.347 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.571 ' SG ' HD12 ' A' ' 57' ' ' LEU . 41.7 t -87.27 132.36 33.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.818 176.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.525 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 30.3 t-80 -45.35 125.78 5.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.741 174.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -49.78 -29.97 21.68 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.917 3.078 . . . . 0.0 114.316 -171.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -90.08 -5.44 56.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.026 0.441 . . . . 0.0 111.248 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -107.53 -5.75 17.39 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -175.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -61.17 -42.68 99.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.379 -175.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -36.07 79.78 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.8 tp -59.99 -51.67 68.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.173 178.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.571 HD12 ' SG ' ' A' ' 49' ' ' CYS . 13.1 mt -62.32 -44.38 96.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.936 175.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.596 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 70.8 ttt180 -56.57 -49.68 74.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.81 0.338 . . . . 0.0 110.38 -178.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.678 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 21.8 t70 -67.85 -38.98 83.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.742 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.4 p -65.89 -40.12 91.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.699 0.762 . . . . 0.0 110.307 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.609 ' O ' HG23 ' A' ' 65' ' ' VAL . 12.5 m-85 -64.72 -36.67 85.03 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.802 175.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 16.0 mm100 -65.35 -35.16 80.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.481 176.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.678 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 32.5 mm-40 -62.06 -51.51 67.69 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.455 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.97 -21.14 27.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.56 -176.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 61' ' ' PHE . 71.7 t -69.97 -42.7 79.67 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 CA-C-O 121.219 0.533 . . . . 0.0 109.868 176.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 63' ' ' GLN . 13.5 ptmm? -85.67 -18.51 32.97 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.569 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.625 HD12 HD23 ' A' ' 72' ' ' LEU . 47.7 mt -94.81 29.75 2.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.229 175.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 82.5 mttt -29.58 109.72 0.05 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.1 -19.14 35.43 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.665 175.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -95.35 139.55 31.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.8 0.333 . . . . 0.0 110.803 -177.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.2 t -78.37 117.34 23.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.168 177.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.625 HD23 HD12 ' A' ' 67' ' ' LEU . 1.2 tm? -101.47 115.55 30.77 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -176.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.4 p -93.06 121.03 33.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.699 0.285 . . . . 0.0 110.731 -177.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.1 p -130.57 135.74 59.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.801 0.81 . . . . 0.0 110.319 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 21.3 ttt -114.31 124.3 51.64 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.115 -174.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.45 ' HE1' ' OG1' ' A' ' 90' ' ' THR . 19.7 p90 -148.5 178.38 8.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -176.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.525 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 91.8 mtt180 -103.35 118.58 37.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.88 0.372 . . . . 0.0 110.8 176.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.624 ' CD1' HG11 ' A' ' 33' ' ' VAL . 8.6 t80 -91.75 137.12 32.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.512 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.427 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 6.2 ttm180 -81.34 108.51 15.02 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.233 176.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.712 ' HB3' HD11 ' A' ' 86' ' ' LEU . 90.1 p -63.79 -178.53 0.31 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.699 0.761 . . . . 0.0 112.117 174.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.445 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 21.8 tptm -76.87 -7.43 55.48 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.424 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -96.88 1.68 50.83 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.957 -1.02 . . . . 0.0 108.654 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 66.23 27.88 10.16 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.601 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -107.54 152.52 24.13 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.523 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 52.4 m95 -111.01 101.11 9.69 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.022 0.439 . . . . 0.0 110.753 -171.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.712 HD11 ' HB3' ' A' ' 80' ' ' SER . 0.0 OUTLIER -100.17 159.18 15.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.948 -177.531 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.601 ' HD1' ' O ' ' A' ' 114' ' ' LYS . 95.3 m95 -71.52 124.34 24.44 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.415 178.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.637 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 2.8 tpp -133.58 124.56 27.1 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.729 174.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -97.87 111.66 23.87 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.45 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 98.3 m -94.37 127.52 40.31 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.196 0.522 . . . . 0.0 110.851 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.8 m -94.96 115.51 27.54 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.127 174.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.435 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 10.4 m -94.05 125.59 38.77 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.55 -174.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.534 ' HE2' ' HD1' ' A' ' 95' ' ' PHE . 60.0 t80 -124.54 135.02 52.83 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 171.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.466 ' HB ' HD13 ' A' ' 103' ' ' ILE . 1.1 p -99.58 110.0 22.47 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.117 0.484 . . . . 0.0 110.478 175.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.534 ' HD1' ' HE2' ' A' ' 93' ' ' PHE . 24.4 t80 -79.53 107.92 12.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.624 -174.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.507 ' HG2' HG12 ' A' ' 103' ' ' ILE . 53.0 mt-30 -99.56 143.99 29.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.736 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.634 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 8.2 t-20 -82.24 122.65 79.48 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 174.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 99' ' ' TYR . 20.1 Cg_endo -61.59 -20.63 69.5 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 122.625 2.216 . . . . 0.0 112.869 -174.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.413 ' CD1' ' HG2' ' A' ' 98' ' ' PRO . 80.9 m-85 -104.62 -11.81 16.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.439 -177.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.634 ' HB2' ' HB3' ' A' ' 97' ' ' ASN . 17.7 m -112.5 -25.44 9.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.595 0.236 . . . . 0.0 111.311 -176.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.8 t70 73.24 -19.3 0.33 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.73 0.812 . . . . 0.0 111.517 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.484 ' HG2' ' CB ' ' A' ' 100' ' ' SER . 12.4 pt-20 -76.24 170.15 16.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.376 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.573 HD11 ' HG2' ' A' ' 68' ' ' LYS . 71.2 mt -103.73 125.39 58.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.256 0.55 . . . . 0.0 110.336 -179.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.445 ' HG2' ' H ' ' A' ' 104' ' ' GLU . 1.6 mm-40 -67.42 -49.2 64.78 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.048 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.477 ' HB2' ' O ' ' A' ' 16' ' ' HIS . 2.8 p90 -179.03 -174.59 0.35 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.438 -1.255 . . . . 0.0 109.519 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.625 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 64.8 mt -101.08 139.91 21.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 57.8 mt -113.32 111.99 38.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.404 ' HB2' HG23 ' A' ' 90' ' ' THR . 6.1 p -112.23 119.53 38.67 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.279 0.561 . . . . 0.0 112.161 -173.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.9 m -88.37 130.03 35.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 170.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.637 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 35.0 m-80 -119.05 113.86 21.6 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.254 -171.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.2 m -112.59 114.11 26.58 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.805 -176.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -82.2 120.71 25.7 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.424 -178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.448 HG12 ' H ' ' A' ' 114' ' ' LYS . 2.1 t -92.57 -140.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.651 -173.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.601 ' O ' ' HD1' ' A' ' 87' ' ' TRP . 0.0 OUTLIER -129.33 -154.54 0.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 119.186 -0.435 . . . . 0.0 110.284 -170.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 87' ' ' TRP . 23.0 t-20 74.83 -48.64 0.65 Allowed 'General case' 0 N--CA 1.474 0.748 0 O-C-N 123.693 0.621 . . . . 0.0 111.05 178.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' A' ' 86' ' ' LEU . 5.5 p -83.42 12.33 5.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.081 177.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.414 ' OG ' ' HE3' ' A' ' 114' ' ' LYS . 10.5 m -73.3 113.57 10.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.671 -178.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -85.75 -42.56 14.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.902 -176.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.956 -178.467 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.531 ' O ' ' HA ' ' A' ' 5' ' ' ASN . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.736 -0.545 . . . . 0.0 111.736 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.31 171.93 7.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.747 0.273 . . . . 0.0 110.647 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.0 mmt 69.47 -66.05 0.28 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.812 0.695 . . . . 0.0 111.981 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -104.45 -18.82 14.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.457 0.17 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.531 ' HA ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 69.3 -75.59 0.07 Allowed 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.746 0.653 . . . . 0.0 110.441 -177.742 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.431 HG22 ' H ' ' A' ' 7' ' ' CYS . 1.3 p -179.02 -172.35 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.431 ' H ' HG22 ' A' ' 6' ' ' VAL . 2.0 p -61.65 91.54 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.484 0.584 . . . . 0.0 111.275 177.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -111.14 139.09 21.5 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.947 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.658 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 34.5 Cg_exo -61.22 157.13 41.5 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 123.33 2.687 . . . . 0.0 111.841 171.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 m -88.98 16.12 7.52 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.226 0.536 . . . . 0.0 111.749 -170.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.563 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 18.2 mt-10 -128.49 134.45 48.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 177.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 29' ' ' CYS . 37.8 p90 -133.3 139.37 46.84 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.99 178.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.2 tt -96.67 142.85 13.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.7 t -138.0 143.78 40.78 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.297 0.57 . . . . 0.0 111.025 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -112.53 115.79 29.2 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 172.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.608 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 1.4 p-80 -128.96 162.53 27.37 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.734 0.778 . . . . 0.0 112.214 -172.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.02 146.16 47.84 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.257 -1.338 . . . . 0.0 108.485 177.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.7 pt -50.31 -23.68 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -170.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -79.84 -8.94 59.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.685 0.278 . . . . 0.0 111.222 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.65 11.02 31.78 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 121.003 -0.618 . . . . 0.0 111.973 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.465 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 43.5 mm -86.95 123.71 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -174.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -68.61 127.62 33.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.173 0.511 . . . . 0.0 111.26 -177.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.2 m -118.11 -40.95 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.995 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -133.27 121.83 23.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.328 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.2 t -131.77 138.71 52.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.743 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -85.73 148.26 25.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.273 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.45 ' HA ' ' CG ' ' A' ' 37' ' ' PRO . 27.9 m170 -56.22 -17.4 7.36 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.658 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 49.0 mtm180 -62.2 -12.42 20.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.496 0.188 . . . . 0.0 111.424 176.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.486 ' HA ' ' CD1' ' A' ' 12' ' ' PHE . 43.8 t -53.01 -34.66 57.33 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.147 0.499 . . . . 0.0 111.615 174.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.437 HG22 ' NE2' ' A' ' 36' ' ' GLN . 48.0 t -65.35 -43.35 94.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.278 -177.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.53 -46.18 64.11 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.462 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.506 HG22 HG13 ' A' ' 33' ' ' VAL . 5.4 m -60.67 -58.02 10.22 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 177.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.506 HG13 HG22 ' A' ' 32' ' ' THR . 33.8 m -134.32 20.03 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -167.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.44 -23.55 1.91 Allowed Glycine 0 CA--C 1.521 0.408 0 N-CA-C 114.679 0.632 . . . . 0.0 114.679 172.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.43 ' CD2' HD21 ' A' ' 40' ' ' LEU . 22.8 m-85 -78.1 150.77 33.64 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 117.347 0.574 . . . . 0.0 110.831 -174.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.447 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 9.8 mm-40 -91.07 144.45 29.99 Favored Pre-proline 0 C--N 1.312 -1.062 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 173.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.524 ' HB2' ' OE1' ' A' ' 38' ' ' GLN . 89.2 Cg_exo -46.19 -45.87 17.52 Favored 'Trans proline' 0 CA--C 1.519 -0.241 0 C-N-CA 122.319 2.012 . . . . 0.0 112.483 -176.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.524 ' OE1' ' HB2' ' A' ' 37' ' ' PRO . 4.3 mm100 -63.26 -34.45 77.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.108 -176.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.447 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 11.2 mm-40 -67.59 -28.06 67.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.711 -176.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.43 HD21 ' CD2' ' A' ' 35' ' ' TYR . 33.6 mt -80.85 -27.01 36.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.383 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.4 mt -63.88 106.46 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.089 0.471 . . . . 0.0 110.222 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.68 -18.64 9.2 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.656 -176.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.685 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 9.9 mmpt? -105.58 156.84 17.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.026 0.441 . . . . 0.0 110.751 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.429 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 29.2 t-20 -94.96 148.3 22.46 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.4 tt -62.29 -23.75 32.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.099 0.476 . . . . 0.0 109.923 174.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.481 HG13 ' HG3' ' A' ' 54' ' ' GLN . 97.7 t -71.48 -28.33 31.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.542 176.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.429 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 7.4 mm-40 -59.95 -36.29 76.77 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.499 0.666 . . . . 0.0 110.48 178.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -109.31 18.92 19.96 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.285 -177.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.43 ' SG ' HD12 ' A' ' 57' ' ' LEU . 42.2 t -92.84 135.48 34.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.231 177.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.857 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 37.7 t-80 -45.15 122.39 5.03 Favored Pre-proline 0 C--O 1.221 -0.424 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.026 174.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -49.43 -26.85 12.74 Favored 'Trans proline' 0 N--CA 1.478 0.618 0 C-N-CA 124.021 3.147 . . . . 0.0 114.548 -169.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.7 -4.59 58.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.692 0.282 . . . . 0.0 111.476 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -108.96 0.83 20.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.108 -172.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.481 ' HG3' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -53.13 -49.64 66.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.099 -179.176 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.471 ' HA ' HE21 ' A' ' 55' ' ' GLN . 0.0 OUTLIER -73.7 -29.95 62.58 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.163 178.565 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.5 tp -58.72 -49.06 79.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.943 0.401 . . . . 0.0 110.3 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.51 HD21 ' CD1' ' A' ' 76' ' ' PHE . 13.1 mt -66.68 -49.43 66.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.609 175.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 46.2 ttt180 -54.62 -50.93 66.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -176.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.591 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 16.9 t70 -62.32 -43.38 98.95 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -177.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 55.5 m -71.38 -32.07 68.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.888 -175.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.55 ' O ' HG23 ' A' ' 65' ' ' VAL . 15.7 m-30 -69.85 -32.76 71.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 14.1 mm100 -72.92 -29.22 62.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.992 176.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 81.1 mm-40 -61.34 -47.85 84.03 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.476 177.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.504 HG11 ' HB3' ' A' ' 92' ' ' SER . 7.4 p -71.08 -24.09 24.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.098 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 61' ' ' PHE . 85.8 t -71.88 -25.57 24.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 121.307 0.575 . . . . 0.0 109.679 173.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -82.75 -39.8 21.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.382 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.649 HD11 HD23 ' A' ' 72' ' ' LEU . 63.6 mt -67.57 -53.46 28.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.417 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.721 ' HG2' HD11 ' A' ' 103' ' ' ILE . 99.4 mttt 58.66 92.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.923 0.764 . . . . 0.0 112.001 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.25 -18.26 36.27 Favored Glycine 0 C--N 1.317 -0.509 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.622 176.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.509 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 11.0 mm100 -96.95 142.49 28.86 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.0 p -77.11 127.13 38.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.459 0.647 . . . . 0.0 110.928 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.649 HD23 HD11 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -120.76 113.57 20.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.037 178.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.5 t -101.79 120.5 40.47 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.068 0.461 . . . . 0.0 110.614 -173.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.4 p -121.72 137.23 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 CA-C-O 121.915 0.864 . . . . 0.0 110.579 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 22.3 ttt -113.92 128.55 56.44 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.506 -172.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.51 ' CD1' HD21 ' A' ' 57' ' ' LEU . 20.0 p90 -152.07 179.06 8.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.936 -175.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.857 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 60.2 mtt180 -99.58 116.78 32.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -94.08 129.98 40.42 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.419 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 3.4 ttm180 -77.23 100.2 5.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.945 0.402 . . . . 0.0 110.484 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.452 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 41.7 t -69.8 175.69 4.13 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.931 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -67.01 -15.13 63.53 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -170.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.459 ' HB2' ' OE1' ' A' ' 84' ' ' GLU . 11.8 m-80 -102.23 15.07 30.22 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 69.21 23.31 6.4 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.146 175.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.459 ' OE1' ' HB2' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -91.11 155.76 18.4 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.015 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.47 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 79.1 m95 -115.01 84.48 2.09 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.168 0.509 . . . . 0.0 109.66 -176.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.453 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.3 pp -87.81 162.02 17.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.969 -174.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.844 ' HB2' ' HB2' ' A' ' 114' ' ' LYS . 97.3 m95 -82.88 111.07 18.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.442 0.639 . . . . 0.0 111.103 -177.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.7 ' HE1' ' HB3' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -122.26 133.3 54.7 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.554 -179.368 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -113.47 120.95 42.77 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.445 ' CG2' ' HB2' ' A' ' 108' ' ' CYS . 66.2 m -104.75 129.32 53.0 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.791 -177.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.498 ' OG ' ' HB ' ' A' ' 109' ' ' THR . 8.3 p -94.43 126.67 39.85 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.504 ' HB3' HG11 ' A' ' 64' ' ' VAL . 5.0 m -100.59 127.39 46.99 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.784 -173.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -127.54 134.18 49.77 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 170.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.59 ' HB ' HD13 ' A' ' 103' ' ' ILE . 2.2 p -105.56 114.33 28.43 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 120.819 0.342 . . . . 0.0 110.122 176.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -83.94 109.71 17.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.844 -174.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.514 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 56.1 mt-30 -83.89 124.01 30.54 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.541 174.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.441 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 19.0 t-20 -65.16 126.4 91.24 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.511 -177.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.47 -23.96 26.62 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.792 2.995 . . . . 0.0 114.394 -172.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -124.24 28.41 6.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.441 ' HB3' ' HB3' ' A' ' 97' ' ' ASN . 27.5 t -145.96 -24.47 0.45 Allowed 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.136 175.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 69.75 -7.4 0.9 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.482 0.713 . . . . 0.0 112.464 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.514 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 10.8 pt-20 -82.46 173.22 12.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.721 HD11 ' HG2' ' A' ' 68' ' ' LYS . 91.4 mt -102.63 116.46 46.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.303 0.573 . . . . 0.0 110.047 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.463 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 5.7 pt-20 -75.66 -41.36 54.19 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -169.8 178.23 4.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.397 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.608 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 57.3 mt -104.26 139.11 26.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.798 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 64.5 mt -115.78 106.82 21.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.445 ' HB2' ' CG2' ' A' ' 90' ' ' THR . 28.0 p -115.1 137.86 51.54 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.978 0.418 . . . . 0.0 111.474 -173.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.498 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 23.2 m -96.45 125.35 40.88 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 170.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.7 ' HB3' ' HE1' ' A' ' 88' ' ' MET . 17.4 m120 -106.12 111.23 23.76 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -174.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.5 m -117.47 126.73 53.11 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.288 -173.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.456 ' HB2' HG23 ' A' ' 32' ' ' THR . 9.3 t-20 -84.43 114.63 22.05 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.616 177.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.523 HG12 ' HG3' ' A' ' 114' ' ' LYS . 25.4 t -93.52 -51.86 10.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.324 0.583 . . . . 0.0 111.327 -174.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.844 ' HB2' ' HB2' ' A' ' 87' ' ' TRP . 29.4 mtpp -137.88 -177.54 4.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.564 -173.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.434 ' O ' ' HB3' ' A' ' 116' ' ' SER . 10.7 t-20 -124.03 -30.72 3.46 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.588 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.565 ' HB2' ' CD1' ' A' ' 87' ' ' TRP . 47.1 t 73.29 -71.56 0.13 Allowed 'General case' 0 C--O 1.237 0.396 0 O-C-N 123.772 0.67 . . . . 0.0 110.8 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 118' ' ' GLN . 35.1 m -157.16 152.26 26.06 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -178.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.424 ' HB3' ' O ' ' A' ' 117' ' ' SER . 47.6 tt0 77.76 91.09 0.06 Allowed 'General case' 0 N--CA 1.464 0.258 0 O-C-N 124.218 0.949 . . . . 0.0 111.85 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 . . . . . 0 C--O 1.25 1.101 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.552 169.491 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.541 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.47 114.25 17.21 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.9 mtt 64.53 -156.98 0.3 Allowed 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.34 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 66.74 27.32 9.31 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.004 0.521 . . . . 0.0 111.901 177.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -151.47 130.01 12.21 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.8 p -177.29 166.81 0.1 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 109.389 -0.596 . . . . 0.0 109.389 -176.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.4 m 62.86 56.93 1.79 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.719 0.771 . . . . 0.0 110.713 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.641 ' HB3' ' HG2' ' A' ' 28' ' ' ARG . 82.7 mm-40 -119.57 167.05 13.01 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.865 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -50.55 153.38 7.8 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.76 2.307 . . . . 0.0 112.401 170.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.499 ' HB ' ' HB3' ' A' ' 112' ' ' ASN . 39.3 p -89.13 32.86 0.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.217 0.532 . . . . 0.0 111.657 -177.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 110' ' ' ASN . 25.1 tt0 -126.65 133.66 50.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 172.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -146.25 155.46 42.69 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.184 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.481 HG12 HG23 ' A' ' 109' ' ' THR . 57.5 mt -111.3 134.69 52.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.752 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.7 p -136.66 141.33 43.17 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.126 0.489 . . . . 0.0 111.165 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -109.54 126.75 53.89 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.426 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -145.68 150.45 36.32 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.007 -175.384 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -76.25 166.96 22.7 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.4 pt -56.63 -16.6 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 124.633 1.208 . . . . 0.0 114.014 -168.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -83.44 -15.6 49.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.051 0.453 . . . . 0.0 110.327 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.41 10.89 26.54 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.229 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.0 mm -89.49 123.06 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 116.884 0.342 . . . . 0.0 110.922 -171.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.439 ' CE1' ' HB ' ' A' ' 45' ' ' ILE . 88.2 m-85 -72.76 132.55 43.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 111.777 -176.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.1 p -119.76 -20.22 7.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.436 174.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -153.86 133.66 13.05 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.539 174.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.84 138.5 22.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.094 0.473 . . . . 0.0 111.021 177.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -70.3 148.68 48.22 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.334 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.421 ' HA ' ' CG ' ' A' ' 37' ' ' PRO . 70.8 m80 -62.8 -19.51 64.12 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.691 -172.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.641 ' HG2' ' HB3' ' A' ' 8' ' ' GLN . 80.6 mtt85 -67.14 -6.43 17.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.578 0.228 . . . . 0.0 111.387 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.4 t -55.31 -41.21 72.08 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.067 0.46 . . . . 0.0 111.203 178.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.681 HG22 ' HA ' ' A' ' 36' ' ' GLN . 16.4 t -64.67 -37.37 79.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.196 0.522 . . . . 0.0 109.785 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.71 -50.83 39.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.045 -177.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.551 HG23 ' HB2' ' A' ' 112' ' ' ASN . 30.4 m -59.24 -52.92 63.6 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' A' ' 78' ' ' PHE . 35.9 m -125.63 -27.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -169.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.567 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 120.75 -20.71 8.65 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 118.973 -1.584 . . . . 0.0 113.452 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.557 ' H ' HG23 ' A' ' 33' ' ' VAL . 22.5 m-85 -81.19 136.45 35.86 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 120.802 0.334 . . . . 0.0 110.699 -178.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.734 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 44.7 mm-40 -76.48 149.21 81.13 Favored Pre-proline 0 C--N 1.311 -1.1 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 173.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.513 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 85.4 Cg_exo -48.26 -42.91 33.02 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.07 1.847 . . . . 0.0 110.949 175.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -55.78 -42.23 75.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.734 ' HG3' ' HB2' ' A' ' 36' ' ' GLN . 40.0 mt-10 -69.99 -23.96 63.23 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.329 -171.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 66.2 mt -86.13 -26.02 25.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.501 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 64.3 mt -62.92 106.78 0.87 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.261 0.553 . . . . 0.0 111.178 -176.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.2 -11.34 33.87 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.984 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.748 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 10.3 mmpt? -105.58 160.87 14.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.836 0.351 . . . . 0.0 110.409 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.539 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 20.9 t-20 -96.52 138.95 33.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.317 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.439 ' HB ' ' CE1' ' A' ' 22' ' ' PHE . 14.5 tt -62.32 -24.69 35.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.262 174.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.4 t -71.13 -25.74 26.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.475 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.539 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 19.2 mm-40 -67.88 -39.13 83.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.311 0.577 . . . . 0.0 110.643 177.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -100.15 19.66 16.01 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.218 -178.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.2 t -96.24 142.47 28.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.452 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.677 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 35.1 t-80 -47.38 127.62 9.96 Favored Pre-proline 0 C--N 1.332 -0.166 0 O-C-N 123.783 0.677 . . . . 0.0 109.809 172.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.456 ' HD2' ' CD2' ' A' ' 50' ' ' HIS . 7.3 Cg_endo -48.56 -44.52 30.23 Favored 'Trans proline' 0 N--CA 1.473 0.315 0 C-N-CA 123.559 2.84 . . . . 0.0 113.572 -169.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -77.08 -5.11 47.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.423 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 2.7 m-20 -110.74 -5.04 15.06 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -175.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -65.09 -36.48 84.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.127 -173.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -75.4 -29.93 59.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.949 0.404 . . . . 0.0 110.253 174.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.425 HD21 HG22 ' A' ' 74' ' ' VAL . 3.0 tt -63.28 -40.38 97.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.385 177.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 57' ' ' LEU . 15.1 mt -67.32 -45.36 76.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.99 175.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.468 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 59.3 mtt180 -58.68 -47.02 85.94 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.704 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.799 ' HA ' HE21 ' A' ' 62' ' ' GLN . 38.9 t70 -63.93 -43.79 94.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.443 -177.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.5 p -71.19 -47.53 56.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.377 0.608 . . . . 0.0 111.27 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.658 ' O ' HG12 ' A' ' 64' ' ' VAL . 9.1 m-85 -64.78 -36.55 84.69 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.904 -177.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.799 HE21 ' HA ' ' A' ' 59' ' ' ASP . 27.8 pt20 -73.75 -25.99 60.44 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.069 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.462 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 66.2 mt-30 -76.65 -28.67 56.11 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.651 177.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 61' ' ' PHE . 8.7 p -71.63 -26.68 26.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 119.396 -0.922 . . . . 0.0 109.289 173.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.824 ' HA ' HG21 ' A' ' 94' ' ' THR . 59.5 t -72.12 -28.63 29.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 121.243 0.544 . . . . 0.0 109.587 172.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 55.4 mtpt -78.8 -38.27 38.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.651 175.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.559 ' HB3' ' HB3' ' A' ' 70' ' ' GLN . 69.5 mt -67.84 -52.06 41.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.084 178.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.723 ' HG2' HD11 ' A' ' 103' ' ' ILE . 89.3 mttt 62.36 99.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.814 0.696 . . . . 0.0 112.124 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.97 -11.44 65.96 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.773 176.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.559 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 51.0 tp60 -98.06 138.62 35.1 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.555 ' HA ' ' O ' ' A' ' 92' ' ' SER . 96.8 t -76.8 118.76 23.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.216 0.531 . . . . 0.0 111.086 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.504 HD23 HD12 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -99.67 114.13 27.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.421 -0.808 . . . . 0.0 108.92 -179.719 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.9 p -96.45 120.91 37.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.173 0.511 . . . . 0.0 110.508 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.425 HG22 HD21 ' A' ' 56' ' ' LEU . 14.7 p -138.74 138.06 42.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.89 0.853 . . . . 0.0 110.695 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 15.2 ttt -113.17 137.31 51.65 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.147 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -161.7 178.6 8.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.995 -176.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.677 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 13.6 mtp180 -107.47 116.29 31.68 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.172 0.511 . . . . 0.0 110.46 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.571 ' CD1' HG11 ' A' ' 33' ' ' VAL . 14.0 t80 -89.46 145.5 25.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.055 -178.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.637 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 47.6 ttp180 -84.03 110.22 18.28 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.67 0.748 . . . . 0.0 111.553 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.6 ' HB3' ' HB2' ' A' ' 84' ' ' GLU . 18.8 t -54.87 159.85 2.16 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.051 170.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.567 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 22.4 tptm -66.26 -9.88 36.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.716 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -102.99 13.26 34.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 64.71 45.61 3.38 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.107 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.637 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 26.1 mt-10 -108.94 160.97 15.58 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.349 177.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -113.09 95.06 5.19 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 120.843 0.354 . . . . 0.0 110.109 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.553 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.3 pp -98.19 159.71 14.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.134 0.492 . . . . 0.0 111.803 -177.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -90.32 127.02 36.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.799 -174.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.8 ptp -143.34 152.02 41.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.444 171.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -115.97 117.51 30.35 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 174.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.43 ' CG2' ' HB2' ' A' ' 108' ' ' CYS . 89.2 m -100.86 135.28 42.56 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.181 -174.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.589 ' OG ' ' HB ' ' A' ' 109' ' ' THR . 33.4 p -104.03 121.17 42.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.555 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 3.8 m -100.68 137.29 39.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.334 -173.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -130.31 143.27 50.67 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 171.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.824 HG21 ' HA ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -111.24 119.03 37.56 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 120.834 0.35 . . . . 0.0 110.563 177.19 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -77.52 100.07 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.729 -174.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -83.29 126.96 33.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.659 174.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -69.87 121.71 83.62 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 169.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.25 9.4 0.4 Allowed 'Trans proline' 0 N--CA 1.475 0.405 0 C-N-CA 122.787 2.324 . . . . 0.0 114.19 -171.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -127.48 -44.55 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.725 0.298 . . . . 0.0 111.499 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.1 m -90.96 -12.65 35.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.728 0.299 . . . . 0.0 111.141 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 t70 64.01 3.83 1.81 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.68 0.792 . . . . 0.0 112.122 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -85.03 168.1 15.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.927 0.394 . . . . 0.0 110.286 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.733 HD12 ' HB ' ' A' ' 94' ' ' THR . 48.3 mm -100.51 123.85 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.036 -178.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -65.96 -50.53 64.02 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.77 0.795 . . . . 0.0 109.269 174.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -174.95 177.23 2.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 113.955 -1.475 . . . . 0.0 108.83 -176.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.426 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 52.3 mt -96.89 145.23 9.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 58.6 mt -120.69 106.75 19.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.43 ' HB2' ' CG2' ' A' ' 90' ' ' THR . 1.8 p -105.08 113.13 26.54 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.27 0.557 . . . . 0.0 111.148 -174.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.589 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 8.4 m -85.74 134.68 33.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.855 174.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.425 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 0.4 OUTLIER -110.81 131.96 54.61 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.532 -171.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 90.5 m -126.1 109.69 12.66 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.84 172.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.551 ' HB2' HG23 ' A' ' 32' ' ' THR . 2.6 t-20 -82.89 119.47 24.44 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.142 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.43 ' HB ' ' H ' ' A' ' 114' ' ' LYS . 2.5 t -88.9 -113.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.206 -175.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.43 ' H ' ' HB ' ' A' ' 113' ' ' VAL . 7.6 ptpp? -147.72 -165.73 2.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.454 -0.153 . . . . 0.0 111.395 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 73.02 45.97 0.26 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 122.157 0.98 . . . . 0.0 110.486 173.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.7 p -154.9 44.49 0.5 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.817 177.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.3 m -142.81 142.71 31.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.021 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -82.51 -15.02 53.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.924 0.392 . . . . 0.0 110.579 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 . . . . . 0 C--O 1.245 0.826 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.544 175.238 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.463 ' HA2' ' OE2' ' A' ' 39' ' ' GLU . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.511 ' HB3' ' HG3' ' A' ' 36' ' ' GLN . . . -134.68 -64.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.699 0.25 . . . . 0.0 111.471 -177.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.521 ' O ' ' HB2' ' A' ' 4' ' ' ASP . 26.9 ttt 67.75 117.62 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.772 0.67 . . . . 0.0 110.755 -175.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.521 ' HB2' ' O ' ' A' ' 3' ' ' MET . 7.7 m-20 75.89 144.46 0.08 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.868 -175.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.933 ' HB2' HG11 ' A' ' 30' ' ' VAL . 2.1 t-20 -144.18 -65.06 0.36 Allowed 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -175.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.5 t -142.96 137.53 26.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 114.514 -1.221 . . . . 0.0 108.447 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.1 m -68.46 95.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.176 0.512 . . . . 0.0 109.846 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.528 ' HB3' ' HD2' ' A' ' 9' ' ' PRO . 35.2 mt-30 -118.6 170.42 6.5 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.871 -173.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 8' ' ' GLN . 87.6 Cg_exo -48.38 156.82 1.54 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.14 2.56 . . . . 0.0 112.701 170.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.439 ' HB ' ' HB3' ' A' ' 112' ' ' ASN . 0.8 OUTLIER -87.69 30.26 0.83 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.258 -176.662 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.576 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 50.3 mt-10 -132.46 134.26 44.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -131.31 151.47 51.47 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.652 176.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.4 mt -97.72 118.59 44.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.281 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.5 p -115.33 121.36 42.59 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.157 0.503 . . . . 0.0 110.358 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.543 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 29.9 mtm180 -102.49 113.23 26.4 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 175.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.406 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -131.5 147.29 52.53 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.596 -172.389 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -68.49 153.8 43.06 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.3 pt -51.07 -24.02 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 O-C-N 124.312 1.008 . . . . 0.0 113.39 -167.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' HB2' HG12 ' A' ' 21' ' ' ILE . 26.2 mt-10 -67.25 -19.89 65.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.076 0.465 . . . . 0.0 111.058 177.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.62 2.53 30.74 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.018 -173.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.405 HG12 ' HB2' ' A' ' 19' ' ' GLU . 40.0 mm -82.52 122.46 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 111.51 0.189 . . . . 0.0 111.51 -171.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.498 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 91.5 m-85 -76.28 120.04 20.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.748 0.309 . . . . 0.0 111.067 -177.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.2 t -118.07 -13.76 9.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.512 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.543 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 82.5 t80 -147.39 118.02 7.52 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 173.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.576 HG21 ' HB3' ' A' ' 40' ' ' LEU . 94.2 t -122.33 131.71 72.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.918 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -74.29 147.68 42.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.692 174.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.53 ' HA ' ' HG3' ' A' ' 37' ' ' PRO . 31.3 m80 -66.84 -15.49 63.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.231 -168.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.7 mtt85 -70.79 -3.89 21.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.948 0.404 . . . . 0.0 111.107 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.2 p -62.87 -35.76 81.06 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.029 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.933 HG11 ' HB2' ' A' ' 5' ' ' ASN . 9.7 m -59.99 -40.29 82.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.541 -179.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.41 -50.51 15.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.427 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.495 HG23 ' HB2' ' A' ' 112' ' ' ASN . 23.4 m -52.19 -54.45 30.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.783 177.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.619 HG11 ' CD1' ' A' ' 78' ' ' PHE . 17.1 m -127.64 -28.67 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -171.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.539 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 117.49 -21.71 10.53 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 119.413 -1.375 . . . . 0.0 113.212 -177.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.517 ' H ' HG23 ' A' ' 33' ' ' VAL . 22.2 m-85 -71.64 142.61 49.93 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.595 ' HA ' HG12 ' A' ' 30' ' ' VAL . 5.0 mm100 -86.45 161.12 49.45 Favored Pre-proline 0 C--N 1.312 -1.058 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 172.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.726 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 72.6 Cg_exo -49.42 -50.48 12.91 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.529 1.486 . . . . 0.0 110.04 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -58.05 -46.14 85.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.301 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.491 ' OE1' ' HG2' ' A' ' 36' ' ' GLN . 66.6 mt-10 -64.86 -26.74 68.46 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.613 0.244 . . . . 0.0 111.291 -174.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.576 ' HB3' HG21 ' A' ' 25' ' ' VAL . 18.7 tp -88.94 -25.95 21.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.855 0.359 . . . . 0.0 110.75 -177.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.726 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 88.7 mt -62.25 121.47 13.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.397 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.63 -5.84 40.88 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.946 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 9.0 mmpt? -108.69 156.52 19.48 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.557 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 31.1 t-20 -97.46 144.97 26.66 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 175.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.498 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 14.2 tt -60.71 -32.77 52.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 177.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.46 ' HA ' ' CB ' ' A' ' 49' ' ' CYS . 9.7 p -68.19 -22.7 27.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 120.761 0.315 . . . . 0.0 111.195 177.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.557 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 22.7 mm-40 -71.83 -31.58 66.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.383 0.611 . . . . 0.0 110.401 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -106.57 19.48 20.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.52 175.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.462 ' SG ' ' HA ' ' A' ' 54' ' ' GLN . 36.0 t -93.97 132.13 38.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.445 177.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.555 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 16.4 t-80 -48.17 126.89 12.1 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.211 175.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.23 -29.17 28.52 Favored 'Trans proline' 0 N--CA 1.479 0.647 0 C-N-CA 123.949 3.099 . . . . 0.0 114.372 -171.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -84.22 -8.49 59.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.06 0.457 . . . . 0.0 110.717 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.577 ' O ' ' HB3' ' A' ' 56' ' ' LEU . 4.5 m-20 -120.82 1.32 10.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.71 -170.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.462 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 87.8 mt-30 -60.29 -42.01 94.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.242 -177.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.497 ' OE1' ' HD2' ' A' ' 58' ' ' ARG . 13.4 mm100 -73.34 -28.36 62.02 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.856 176.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.577 ' HB3' ' O ' ' A' ' 53' ' ' ASP . 17.1 tp -58.41 -43.83 88.79 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.505 HD23 ' O ' ' A' ' 53' ' ' ASP . 4.3 mm? -62.41 -54.45 40.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.917 177.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.57 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 69.3 mtt180 -60.52 -46.71 89.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.413 -175.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.639 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 33.3 t70 -60.37 -46.2 90.81 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.189 0.519 . . . . 0.0 110.548 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.0 m -67.12 -35.27 79.39 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.659 -176.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.536 ' O ' HG23 ' A' ' 65' ' ' VAL . 14.2 m-30 -70.3 -32.11 69.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.161 175.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 84.3 mm-40 -67.11 -39.31 86.68 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.639 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 73.0 mm-40 -65.55 -42.89 91.36 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.294 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.549 HG11 ' OG ' ' A' ' 92' ' ' SER . 11.6 p -70.97 -25.13 25.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.83 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 61' ' ' PHE . 74.4 t -72.71 -29.29 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.384 0.611 . . . . 0.0 109.631 173.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 63.4 mttm -76.89 -29.46 55.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.836 173.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.837 ' HB3' ' HB2' ' A' ' 70' ' ' GLN . 37.9 mt -74.78 -58.16 3.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.191 178.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 99.0 mttt 58.78 98.28 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.8 0.688 . . . . 0.0 111.635 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.71 -20.05 47.69 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.529 -0.844 . . . . 0.0 112.607 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.837 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 2.8 mp0 -87.86 134.14 33.76 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.5 t -76.84 116.02 19.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.2 tt -116.43 130.74 56.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.962 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.9 m -105.18 122.65 46.35 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.856 0.36 . . . . 0.0 111.299 -174.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.7 p -121.59 134.98 63.2 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.78 0 CA-C-O 121.588 0.709 . . . . 0.0 109.789 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 27.6 ttt -119.67 124.32 45.98 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.39 -173.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.476 ' CG ' HD21 ' A' ' 57' ' ' LEU . 10.4 p90 -151.29 179.94 7.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.064 -170.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.555 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 76.6 mtp180 -106.5 119.52 39.49 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.79 0.329 . . . . 0.0 110.523 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.619 ' CD1' HG11 ' A' ' 33' ' ' VAL . 20.4 t80 -96.71 144.11 27.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.037 -176.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 3.9 ttm180 -83.07 104.67 13.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.102 0.477 . . . . 0.0 110.502 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.567 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -65.25 173.22 2.63 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.001 174.722 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.539 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 18.3 tptm -73.17 -3.35 26.08 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.536 0.684 . . . . 0.0 110.916 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.488 ' OD1' ' HB2' ' A' ' 80' ' ' SER . 18.4 p30 -103.52 7.73 37.77 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.97 176.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 68.54 14.97 9.14 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 114.249 -1.342 . . . . 0.0 112.205 176.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 56.3 mm-40 -88.25 166.47 14.31 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 171.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.588 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 37.3 m95 -124.19 87.45 2.73 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -173.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.599 ' HA ' ' HB2' ' A' ' 116' ' ' SER . 0.9 OUTLIER -89.67 160.8 16.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.352 0.596 . . . . 0.0 111.921 -173.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -83.09 121.39 26.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.391 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 11.0 ptp -132.16 143.59 50.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.248 0.547 . . . . 0.0 110.715 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -99.35 110.11 22.65 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.839 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 109' ' ' THR . 49.0 m -101.69 125.54 48.37 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.838 0.351 . . . . 0.0 111.093 -177.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.557 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 14.6 p -94.87 130.82 41.31 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.549 ' OG ' HG11 ' A' ' 64' ' ' VAL . 8.6 t -104.88 155.94 18.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.498 0.666 . . . . 0.0 110.936 -176.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 45.1 t80 -159.7 134.57 7.94 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.332 -1.304 . . . . 0.0 108.601 177.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.69 ' HB ' HD12 ' A' ' 103' ' ' ILE . 75.5 p -96.74 110.56 23.0 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.551 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 33.4 t80 -72.6 102.83 3.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.151 0.501 . . . . 0.0 110.38 -175.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 97.9 mt-30 -84.65 133.29 34.41 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.016 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -60.8 113.44 7.69 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 164.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.484 ' HG2' ' CE1' ' A' ' 99' ' ' TYR . 29.0 Cg_endo -63.38 -0.39 2.3 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 122.732 2.288 . . . . 0.0 113.656 -172.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.484 ' CE1' ' HG2' ' A' ' 98' ' ' PRO . 57.6 m-85 -113.82 -26.33 8.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 -179.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.469 ' HB2' ' HG3' ' A' ' 102' ' ' GLU . 14.4 m -130.66 1.06 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -173.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 63.16 11.48 5.31 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.296 0.638 . . . . 0.0 112.652 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.469 ' HG3' ' HB2' ' A' ' 100' ' ' SER . 40.1 mt-10 -66.45 141.4 57.93 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.69 HD12 ' HB ' ' A' ' 94' ' ' THR . 40.7 mm -92.35 103.15 14.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -61.86 -42.48 99.11 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.706 0.765 . . . . 0.0 109.698 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -178.97 176.86 0.87 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.958 -1.474 . . . . 0.0 109.099 -175.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.406 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 56.1 mt -98.71 140.6 18.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 175.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 57.3 mt -114.65 107.0 21.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 91' ' ' SER . 89.2 m -112.81 135.29 53.72 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.207 0.527 . . . . 0.0 111.78 -175.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 90' ' ' THR . 52.8 m -99.65 130.64 45.89 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 170.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.576 ' O ' ' HA ' ' A' ' 11' ' ' GLU . 16.7 m120 -108.63 110.28 21.69 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -175.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.571 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 81.0 m -106.71 105.15 15.04 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.096 -176.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.495 ' HB2' HG23 ' A' ' 32' ' ' THR . 1.9 t-20 -74.54 116.27 15.03 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.425 ' HB ' ' H ' ' A' ' 114' ' ' LYS . 13.9 t -90.3 -93.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.255 -176.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.425 ' H ' ' HB ' ' A' ' 113' ' ' VAL . 18.4 ptpt -154.15 170.22 21.71 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 48.1 t30 75.63 146.24 0.09 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.497 1.123 . . . . 0.0 112.269 169.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.599 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 50.8 m 68.39 28.45 6.14 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.37 177.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.29 -62.96 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.152 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -114.06 -159.71 0.7 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.968 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 C--O 1.251 1.15 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.164 -178.639 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.36 145.66 34.16 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.064 -0.346 . . . . 0.0 110.064 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 54.3 ttm 72.32 -18.52 0.33 Allowed 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.589 0.556 . . . . 0.0 111.84 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.51 140.44 44.52 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 178.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.44 HD21 ' NE2' ' A' ' 36' ' ' GLN . 6.9 p30 175.05 146.71 0.07 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.938 177.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -179.23 132.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.063 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.3 t 55.02 69.82 0.69 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.151 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.715 ' HB3' ' HG2' ' A' ' 28' ' ' ARG . 18.4 mm-40 -118.14 149.55 45.87 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.869 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 33.5 Cg_exo -60.4 160.12 24.8 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.219 2.612 . . . . 0.0 112.588 174.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 p -86.09 17.6 3.5 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -173.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.885 ' HG2' ' HA ' ' A' ' 111' ' ' THR . 45.7 mt-10 -124.77 133.48 53.13 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 173.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -131.69 154.96 48.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.894 0.378 . . . . 0.0 110.512 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.4 mt -99.44 120.1 48.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.736 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.5 p -106.17 113.65 27.3 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 121.471 0.653 . . . . 0.0 110.305 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.567 ' HB3' ' HB3' ' A' ' 24' ' ' PHE . 38.0 ttt180 -97.01 103.91 15.88 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 178.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -135.91 156.73 48.32 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.361 0.601 . . . . 0.0 112.38 -168.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -85.26 160.05 19.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.269 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.477 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 48.3 pt -57.63 -15.69 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -167.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -83.45 -2.23 55.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.158 0.504 . . . . 0.0 110.236 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 44' ' ' ASN . . . 93.18 10.29 59.76 Favored Glycine 0 N--CA 1.442 -0.962 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -178.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.7 mm -82.63 117.72 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 O-C-N 123.528 0.193 . . . . 0.0 110.692 -174.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.415 ' CD2' ' HG ' ' A' ' 40' ' ' LEU . 97.1 m-85 -75.56 113.4 12.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.641 0.258 . . . . 0.0 110.463 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.1 p -97.65 -32.68 11.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.662 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.567 ' HB3' ' HB3' ' A' ' 15' ' ' ARG . 87.1 t80 -139.77 124.39 18.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.348 175.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.401 HG21 HD23 ' A' ' 40' ' ' LEU . 94.6 t -124.89 133.45 69.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.058 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -73.5 147.76 43.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.375 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.513 ' HA ' ' HG3' ' A' ' 37' ' ' PRO . 59.6 m80 -60.35 -17.5 43.72 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -173.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.715 ' HG2' ' HB3' ' A' ' 8' ' ' GLN . 67.5 mtm180 -68.15 -7.26 28.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.635 0.255 . . . . 0.0 111.502 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.6 p -57.5 -34.69 69.34 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.171 0.51 . . . . 0.0 111.313 176.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.704 HG12 ' HA ' ' A' ' 36' ' ' GLN . 4.7 m -66.58 -34.91 73.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.258 -178.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.04 -51.38 9.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.093 -176.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.457 HG23 ' HB2' ' A' ' 112' ' ' ASN . 24.5 m -53.78 -47.28 70.93 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 178.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.711 HG11 ' CD1' ' A' ' 78' ' ' PHE . 16.6 m -131.18 -34.01 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -173.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.2 -11.54 9.85 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 119.158 -1.496 . . . . 0.0 113.812 -177.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.503 ' H ' HG23 ' A' ' 33' ' ' VAL . 24.2 m-85 -82.47 137.27 34.71 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 117.444 0.622 . . . . 0.0 110.019 178.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.704 ' HA ' HG12 ' A' ' 30' ' ' VAL . 4.3 mm100 -83.73 154.83 65.19 Favored Pre-proline 0 C--N 1.314 -0.952 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 177.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.634 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 84.7 Cg_exo -46.99 -51.41 9.34 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.687 2.258 . . . . 0.0 112.176 -174.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -64.79 -37.46 87.69 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.707 -176.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -68.01 -26.39 65.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.947 0.404 . . . . 0.0 110.654 -174.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.415 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 18.3 tp -86.18 -27.23 24.67 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.348 -178.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 68.2 mt -62.3 116.37 4.98 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.78 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.4 -6.68 36.42 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.596 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.724 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -103.09 156.09 17.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.77 0.319 . . . . 0.0 110.591 177.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.619 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 10.0 m120 -89.72 144.5 25.93 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 174.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.8 tt -62.82 -20.48 25.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.429 173.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.435 HG13 ' HG2' ' A' ' 54' ' ' GLN . 61.6 t -76.75 -29.28 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.667 179.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.619 ' HG2' ' HB2' ' A' ' 44' ' ' ASN . 17.0 mm-40 -62.79 -31.19 72.11 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.581 0.705 . . . . 0.0 110.093 176.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -109.21 21.3 17.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.778 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.541 ' SG ' HD12 ' A' ' 57' ' ' LEU . 35.0 t -99.21 131.79 44.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.971 176.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.522 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 19.1 t-80 -44.98 122.46 4.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.82 175.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.403 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 76.7 Cg_exo -51.87 -24.34 18.52 Favored 'Trans proline' 0 N--CA 1.477 0.505 0 C-N-CA 123.662 2.908 . . . . 0.0 114.258 -172.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -93.84 -5.08 48.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.927 0.394 . . . . 0.0 110.912 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -112.27 3.77 17.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -173.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.435 ' HG2' HG13 ' A' ' 46' ' ' VAL . 66.1 mt-30 -67.02 -43.17 83.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.787 -173.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -72.07 -29.93 64.63 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.3 tp -59.12 -47.94 83.41 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.766 175.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.541 HD12 ' SG ' ' A' ' 49' ' ' CYS . 12.7 mt -66.33 -47.96 71.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.846 174.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.475 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 68.1 ttt180 -53.4 -55.53 24.27 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.452 0.47 . . . . 0.0 110.954 -176.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.648 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 21.4 t70 -56.27 -46.72 79.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.326 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.3 m -69.2 -31.65 70.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.213 -174.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.493 ' O ' HG23 ' A' ' 65' ' ' VAL . 15.0 m-30 -70.89 -33.3 70.45 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 175.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 18.0 mm-40 -69.14 -39.64 78.72 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.7 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 83.5 mm-40 -58.78 -47.89 83.15 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.588 178.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.516 HG21 ' HB2' ' A' ' 92' ' ' SER . 9.1 p -71.33 -20.6 21.33 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.576 -177.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 61' ' ' PHE . 54.6 t -71.5 -26.2 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.83 0.824 . . . . 0.0 109.446 171.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -87.66 -55.92 3.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.156 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 3.9 pp -90.31 9.15 29.94 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -172.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.425 ' HE2' ' NE2' ' A' ' 96' ' ' GLN . 0.2 OUTLIER -42.52 140.45 1.25 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.849 173.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.17 -32.0 7.21 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 108.499 -1.84 . . . . 0.0 108.499 -166.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -105.5 139.87 39.46 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 169.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.4 t -76.58 123.8 33.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.956 0.408 . . . . 0.0 110.045 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.465 HD23 HD11 ' A' ' 67' ' ' LEU . 1.6 tm? -103.93 116.69 32.72 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -176.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.404 ' HB3' ' HD2' ' A' ' 89' ' ' ARG . 27.6 m -100.64 120.83 40.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.825 0.345 . . . . 0.0 110.186 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.7 p -121.84 137.26 56.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 121.547 0.689 . . . . 0.0 110.231 178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.7 ttt -109.46 132.81 53.79 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.943 -175.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.479 ' HE1' ' OG1' ' A' ' 90' ' ' THR . 14.6 p90 -160.16 178.21 9.89 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 123.407 0.442 . . . . 0.0 109.921 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.626 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 51.3 mtp180 -108.1 117.97 35.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.903 0.382 . . . . 0.0 110.547 -179.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.711 ' CD1' HG11 ' A' ' 33' ' ' VAL . 13.0 t80 -94.82 147.79 22.98 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.843 -175.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -83.05 105.66 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.202 0.525 . . . . 0.0 111.322 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.435 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 34.3 t -58.46 161.21 4.65 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.529 168.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -65.21 -10.95 35.86 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.262 0.553 . . . . 0.0 110.677 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.411 ' HB2' ' OE1' ' A' ' 84' ' ' GLU . 14.1 m-80 -97.74 7.79 45.8 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 65.94 32.64 8.39 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.411 ' OE1' ' HB2' ' A' ' 82' ' ' ASN . 36.5 mt-10 -99.18 156.28 17.04 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.087 -0.96 . . . . 0.0 108.891 173.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -119.63 94.52 4.43 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 121.157 0.503 . . . . 0.0 110.153 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.626 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.7 pp -100.37 168.61 9.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.376 -174.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.429 ' HB3' HG23 ' A' ' 113' ' ' VAL . 71.6 m95 -89.56 130.67 35.84 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.608 -176.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.521 ' HA ' HG22 ' A' ' 113' ' ' VAL . 10.3 ptp -140.66 139.39 34.8 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.019 0.438 . . . . 0.0 110.873 169.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HD2' ' HB3' ' A' ' 73' ' ' SER . 10.1 ttp180 -95.64 115.06 26.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.177 175.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.479 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 58.8 m -96.44 125.08 40.68 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.918 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.543 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 19.2 m -97.09 122.09 39.71 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 176.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.516 ' HB2' HG21 ' A' ' 64' ' ' VAL . 2.5 m -111.84 144.5 41.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.317 0.579 . . . . 0.0 112.115 -172.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.485 ' CE1' ' HA ' ' A' ' 95' ' ' PHE . 16.7 t80 -145.73 134.65 22.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.56 168.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.462 ' HB ' HD13 ' A' ' 103' ' ' ILE . 21.7 p -98.87 121.37 40.74 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.485 ' HA ' ' CE1' ' A' ' 93' ' ' PHE . 4.2 t80 -76.9 104.12 7.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.169 0.509 . . . . 0.0 110.213 -174.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.425 ' NE2' ' HE2' ' A' ' 68' ' ' LYS . 19.1 mt-30 -88.66 130.15 35.36 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.398 175.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -74.26 117.81 64.68 Favored Pre-proline 0 C--N 1.32 -0.71 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 173.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.75 -6.51 15.74 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 122.528 2.152 . . . . 0.0 114.204 -167.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -118.0 29.7 7.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.998 0.428 . . . . 0.0 111.101 -178.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.5 t -168.64 -20.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.463 176.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 63.88 20.18 12.09 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.444 0.698 . . . . 0.0 112.05 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -91.71 156.68 17.4 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 174.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.462 HD13 ' HB ' ' A' ' 94' ' ' THR . 77.9 mt -99.89 121.06 50.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.696 0.76 . . . . 0.0 111.025 -177.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 8.4 mt-10 -73.34 -53.13 11.52 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.042 -1.435 . . . . 0.0 109.576 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -167.69 -176.39 3.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.194 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 45.3 mt -113.77 143.4 23.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.692 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.0 mt -120.32 106.79 19.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 91' ' ' SER . 98.3 m -118.47 136.84 53.56 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -174.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 32.5 m -98.59 137.47 37.18 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 170.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -113.23 110.65 20.73 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.885 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 80.9 m -103.99 116.29 31.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.92 -176.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.457 ' HB2' HG23 ' A' ' 32' ' ' THR . 3.1 t-20 -74.99 109.59 8.58 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.39 -0.966 . . . . 0.0 108.39 176.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -93.35 -127.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.866 -172.417 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.487 ' H ' ' HB ' ' A' ' 113' ' ' VAL . 21.7 mtpp -55.88 -31.64 62.98 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 122.573 0.349 . . . . 0.0 111.709 -175.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 64.0 t30 71.49 96.39 0.07 Allowed 'General case' 0 CA--C 1.533 0.303 0 O-C-N 123.427 0.454 . . . . 0.0 111.292 168.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.79 -35.48 79.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.909 -175.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.1 t -134.07 175.22 9.68 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -176.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.471 ' HA ' ' OE1' ' A' ' 118' ' ' GLN . 13.2 mm-40 64.77 32.03 11.34 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.345 0.593 . . . . 0.0 110.528 -174.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.249 -0.881 . . . . 0.0 108.967 176.873 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.47 152.01 25.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 176.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.25 -73.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -174.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -103.0 98.74 8.65 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.733 ' HB2' ' HB3' ' A' ' 27' ' ' HIS . 0.8 OUTLIER -148.56 68.02 1.07 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.06 -175.313 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.2 m -98.75 -172.92 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.85 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.8 m 62.29 47.09 5.59 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.642 0.734 . . . . 0.0 110.886 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.667 ' HB3' ' HG2' ' A' ' 28' ' ' ARG . 15.3 mm100 -116.45 149.41 43.67 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.049 -178.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.531 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 32.6 Cg_exo -60.71 158.33 33.34 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.891 2.394 . . . . 0.0 111.672 174.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.15 23.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.127 0.489 . . . . 0.0 111.904 -176.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.627 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 2.5 tm-20 -128.26 133.42 48.79 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 174.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -138.95 139.15 37.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.175 0.512 . . . . 0.0 110.841 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.0 tt -96.92 144.4 10.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.375 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.7 t -145.17 143.22 30.21 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.27 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 15' ' ' ARG . 48.6 mtm105 -108.14 131.21 54.88 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 174.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.652 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 1.4 p-80 -138.59 157.89 45.29 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 119.781 -0.768 . . . . 0.0 112.007 -176.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.94 148.18 52.28 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.998 -1.001 . . . . 0.0 108.619 175.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.403 HG13 ' HG3' ' A' ' 19' ' ' GLU . 33.5 pt -51.83 -26.21 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 O-C-N 124.306 1.004 . . . . 0.0 113.708 -168.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.403 ' HG3' HG13 ' A' ' 18' ' ' ILE . 14.2 mt-10 -78.68 -8.11 58.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.458 -178.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.16 15.98 18.02 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.656 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.4 mm -91.45 118.36 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.919 0.359 . . . . 0.0 110.427 -175.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' A' ' 40' ' ' LEU . 72.1 m-85 -62.09 130.6 46.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.021 0.439 . . . . 0.0 111.688 -177.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 m -114.08 -40.36 3.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.279 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -147.72 133.77 19.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.429 ' CG1' ' HB2' ' A' ' 29' ' ' CYS . 98.1 t -129.36 136.79 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.162 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -75.91 149.27 37.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.314 0.578 . . . . 0.0 110.268 174.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.733 ' HB3' ' HB2' ' A' ' 5' ' ' ASN . 67.1 m80 -57.99 -17.81 19.76 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.126 -0.943 . . . . 0.0 112.91 -175.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.667 ' HG2' ' HB3' ' A' ' 8' ' ' GLN . 98.5 mtt180 -61.25 -14.78 28.6 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.099 0.249 . . . . 0.0 111.359 176.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.429 ' HB2' ' CG1' ' A' ' 25' ' ' VAL . 43.3 t -50.05 -43.82 51.27 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.393 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.5 m -65.79 -27.86 42.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 111.042 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.68 -52.11 9.51 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.524 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 m -63.47 -52.1 62.79 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.542 ' O ' ' HA ' ' A' ' 80' ' ' SER . 28.0 m -127.68 10.11 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -168.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.05 -28.97 1.89 Allowed Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.292 -0.956 . . . . 0.0 113.824 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.402 ' HE2' ' HB3' ' A' ' 48' ' ' PHE . 12.6 m-85 -71.17 142.31 50.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.234 0.54 . . . . 0.0 111.355 -176.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.501 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 4.8 mm100 -83.86 146.63 49.62 Favored Pre-proline 0 C--N 1.315 -0.933 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.565 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 82.6 Cg_exo -45.66 -42.72 18.97 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 122.202 1.935 . . . . 0.0 112.093 -179.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -56.43 -40.91 75.55 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.7 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.501 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 34.8 mm-40 -62.98 -27.22 69.26 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.223 0.535 . . . . 0.0 111.125 -171.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.589 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 89.0 mt -89.17 -31.16 18.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.656 -175.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 53.7 mt -61.81 112.51 2.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.821 -172.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.91 -8.85 33.97 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.227 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.427 ' HD3' ' HZ ' ' A' ' 48' ' ' PHE . 22.8 mtpp -118.12 165.34 13.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.763 0.316 . . . . 0.0 110.603 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.591 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 5.3 t-20 -87.65 144.06 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.05 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.595 HG12 ' SG ' ' A' ' 49' ' ' CYS . 12.2 tt -57.62 -38.6 65.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.439 174.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.1 -30.09 45.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.356 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.591 ' HG3' ' HB3' ' A' ' 44' ' ' ASN . 39.5 mt-10 -65.02 -19.6 66.08 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.124 0.487 . . . . 0.0 110.499 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.446 ' HD1' HH21 ' A' ' 79' ' ' ARG . 65.5 m-85 -116.0 14.83 16.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.254 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.595 ' SG ' HG12 ' A' ' 45' ' ' ILE . 88.9 m -100.4 148.06 25.14 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.384 178.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.58 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 40.8 t-80 -49.28 128.46 16.75 Favored Pre-proline 0 N--CA 1.465 0.302 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.16 175.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 50' ' ' HIS . 74.6 Cg_exo -51.91 -34.46 56.02 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 124.065 3.177 . . . . 0.0 114.17 -174.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -84.2 -7.07 59.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.956 0.408 . . . . 0.0 110.871 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -111.39 -8.89 14.28 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -173.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 50' ' ' HIS . 97.9 mt-30 -66.24 -34.11 77.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.741 -175.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.483 ' O ' ' HB3' ' A' ' 58' ' ' ARG . 10.3 tm0? -77.2 -37.23 53.92 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.0 tp -59.6 -47.96 83.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.305 177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.559 HD11 ' CD2' ' A' ' 76' ' ' PHE . 62.3 mt -62.84 -34.43 77.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.211 177.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.654 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 49.8 ttt180 -55.84 -54.95 38.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.671 175.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.556 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 19.0 t70 -68.63 -39.92 80.56 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.497 0.184 . . . . 0.0 111.497 -176.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.49 ' OG ' ' HA ' ' A' ' 57' ' ' LEU . 6.1 p -67.79 -44.21 77.91 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.318 0.58 . . . . 0.0 111.289 -175.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.524 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.2 m-85 -59.33 -36.18 75.21 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.822 175.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.654 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 87.3 mm-40 -67.85 -35.46 78.6 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.59 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.577 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 40.0 mm-40 -57.31 -51.84 67.74 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.147 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.532 HG11 ' HB3' ' A' ' 92' ' ' SER . 12.2 p -66.04 -31.08 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.037 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.538 ' HA ' HG21 ' A' ' 94' ' ' THR . 78.1 t -68.71 -34.99 67.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.219 0.533 . . . . 0.0 110.195 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 16.3 ptpt -88.05 -17.72 30.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.112 177.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 75.4 mt -76.05 -52.75 9.52 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 173.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 98.0 mttt 62.54 97.98 0.03 OUTLIER 'General case' 0 C--O 1.235 0.339 0 O-C-N 123.844 0.715 . . . . 0.0 112.601 175.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.88 -18.05 50.96 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.473 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -90.96 129.75 36.95 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.8 p -76.83 121.44 29.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.585 ' HB3' ' HB2' ' A' ' 92' ' ' SER . 15.4 tp -106.12 144.28 33.06 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.374 -174.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.406 ' HB3' ' HD3' ' A' ' 89' ' ' ARG . 25.2 m -111.4 121.32 44.91 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.891 0.377 . . . . 0.0 111.044 175.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.9 p -129.54 132.94 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.59 0 CA-C-O 121.611 0.72 . . . . 0.0 109.673 173.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.9 ttt -109.55 124.0 50.37 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.924 -175.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.559 ' CD2' HD11 ' A' ' 57' ' ' LEU . 18.8 p90 -146.46 178.11 8.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.031 -175.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.638 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 38.9 mtm180 -108.13 114.36 28.2 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 176.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.511 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 4.9 t80 -83.98 147.31 27.52 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.728 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 54.0 ttp180 -88.93 105.59 17.87 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.097 178.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.639 ' HB3' ' HB2' ' A' ' 84' ' ' GLU . 30.1 t -58.17 167.29 1.33 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.203 173.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -67.3 -9.52 41.71 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.603 -176.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -103.83 13.46 32.87 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.41 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 1.7 mp0 66.08 38.12 4.92 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 114.154 -1.385 . . . . 0.0 110.597 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.728 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 20.0 mt-10 -94.25 158.5 15.56 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.638 -1.164 . . . . 0.0 109.601 177.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.509 ' CZ3' ' HA ' ' A' ' 50' ' ' HIS . 31.0 m95 -117.6 83.26 1.96 Allowed 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 120.763 0.316 . . . . 0.0 110.387 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.712 HD13 ' HE1' ' A' ' 88' ' ' MET . 0.3 OUTLIER -92.82 166.01 12.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.08 -178.244 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.809 ' HB2' ' HB2' ' A' ' 114' ' ' LYS . 92.9 m95 -101.01 122.46 43.57 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -170.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.712 ' HE1' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -136.19 147.98 47.91 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.159 0.504 . . . . 0.0 110.57 172.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.406 ' HD3' ' HB3' ' A' ' 73' ' ' SER . 37.1 ttm180 -106.85 117.27 33.62 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.08 174.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.511 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 86.9 m -94.67 133.53 38.23 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.315 -176.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.4 m -88.34 114.82 25.35 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.478 -0.783 . . . . 0.0 108.998 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.585 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 5.1 m -93.77 120.41 34.0 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.324 -176.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -129.83 135.06 47.97 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.536 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.538 HG21 ' HA ' ' A' ' 65' ' ' VAL . 20.8 p -100.0 108.82 21.11 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 176.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.527 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 2.6 t80 -81.02 117.3 21.51 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 1.006 ' HG2' HG12 ' A' ' 103' ' ' ILE . 16.0 mt-30 -124.45 142.39 51.35 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.484 -172.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -72.65 110.63 8.67 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 174.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.464 ' HG2' ' CE1' ' A' ' 99' ' ' TYR . 18.5 Cg_endo -59.36 -18.98 48.63 Favored 'Trans proline' 0 N--CA 1.471 0.19 0 C-N-CA 122.985 2.457 . . . . 0.0 113.21 -173.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.464 ' CE1' ' HG2' ' A' ' 98' ' ' PRO . 55.5 m-85 -97.55 3.87 50.47 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.19 -176.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.8 t -143.72 -17.35 0.61 Allowed 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -178.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 74.19 -13.96 0.73 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.93 0.892 . . . . 0.0 112.451 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -69.04 146.43 52.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.88 0.371 . . . . 0.0 110.825 -176.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 1.006 HG12 ' HG2' ' A' ' 96' ' ' GLN . 60.7 mt -94.64 112.97 28.18 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.594 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.928 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 4.8 pt-20 -69.67 -41.32 75.65 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.503 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.483 ' HB2' ' O ' ' A' ' 16' ' ' HIS . 24.3 p90 -173.91 173.68 3.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.951 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.652 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 65.7 mt -100.97 144.52 12.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.587 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 63.3 mt -113.44 115.52 49.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.6 p -113.4 112.43 23.63 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.274 0.559 . . . . 0.0 111.622 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.3 m -90.24 136.21 33.19 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 171.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.437 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 33.7 m-80 -126.49 110.75 13.63 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.914 -171.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.1 m -108.19 127.12 53.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.306 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -81.52 116.57 21.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.959 0.409 . . . . 0.0 110.106 -177.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.459 HG12 ' HG3' ' A' ' 114' ' ' LYS . 24.1 t -95.05 -53.03 8.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.756 0.789 . . . . 0.0 110.311 -178.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.809 ' HB2' ' HB2' ' A' ' 87' ' ' TRP . 29.4 mtpp -135.55 168.99 18.23 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.647 -1.16 . . . . 0.0 109.307 -175.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -114.94 11.48 16.58 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.263 0.554 . . . . 0.0 109.648 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.5 t 73.86 136.81 0.05 Allowed 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.746 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.2 p -75.82 63.13 1.63 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.691 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.9 -45.56 93.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.478 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.236 -179.798 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.066 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.485 ' HA ' ' CD2' ' A' ' 27' ' ' HIS . . . 68.63 -70.36 0.13 Allowed 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -172.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.6 ttt -81.62 137.27 35.5 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 164.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.3 t70 63.55 98.53 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.661 0.6 . . . . 0.0 111.699 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.5 ' HB2' HG21 ' A' ' 30' ' ' VAL . 5.8 m-80 -137.84 149.47 46.34 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.102 -1.074 . . . . 0.0 108.102 177.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.74 126.68 69.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -174.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.0 m 64.41 81.25 0.21 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.211 -0.904 . . . . 0.0 113.138 171.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.584 ' HB3' ' HG2' ' A' ' 28' ' ' ARG . 22.0 mp0 -118.26 158.29 46.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.667 174.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.59 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 31.7 Cg_exo -61.23 155.71 49.84 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.973 2.448 . . . . 0.0 111.796 168.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.421 HG22 ' HA ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -85.68 33.0 0.57 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.193 0.521 . . . . 0.0 112.018 -174.57 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.47 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 9.1 pt-20 -142.88 135.66 27.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.746 173.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -130.49 153.43 48.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.144 0.497 . . . . 0.0 110.897 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.9 mt -102.78 128.7 55.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.483 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.0 t -127.2 140.67 52.08 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.26 0.553 . . . . 0.0 111.049 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.433 ' HG2' HG12 ' A' ' 107' ' ' ILE . 77.8 mtt180 -110.6 121.65 45.85 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 173.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.425 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -139.32 153.58 47.76 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.095 0.474 . . . . 0.0 111.294 -172.832 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.44 147.09 52.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.836 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.487 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 44.0 pt -50.08 -25.29 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 124.452 1.095 . . . . 0.0 113.588 -169.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -75.69 -9.51 58.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.215 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.41 9.41 33.6 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.254 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 46.1 mm -88.26 122.08 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -175.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CD2' ' HG ' ' A' ' 40' ' ' LEU . 93.6 m-85 -69.22 126.14 28.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.998 0.427 . . . . 0.0 111.346 -176.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.2 m -109.72 -39.26 5.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.493 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -141.68 132.56 25.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.466 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.423 ' CG1' ' HB2' ' A' ' 29' ' ' CYS . 97.6 t -130.59 137.9 55.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.709 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -75.87 149.22 37.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.071 0.462 . . . . 0.0 110.662 175.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.485 ' CD2' ' HA ' ' A' ' 2' ' ' ALA . 34.6 m170 -59.11 -16.03 17.29 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -173.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.59 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 84.3 mtm180 -68.43 0.02 4.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.074 0.464 . . . . 0.0 111.263 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 35' ' ' TYR . 32.2 t -58.36 -38.33 77.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.139 176.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.5 HG21 ' HB2' ' A' ' 5' ' ' ASN . 27.2 m -69.32 -31.34 49.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.137 0.494 . . . . 0.0 111.431 -177.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.528 ' HB2' ' HB2' ' A' ' 8' ' ' GLN . . . -77.63 -52.23 9.34 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.487 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.421 ' HA ' HG22 ' A' ' 10' ' ' THR . 2.8 m -60.25 -54.76 41.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.721 178.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.523 HG11 ' CD1' ' A' ' 78' ' ' PHE . 35.3 m -132.09 10.79 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -170.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.67 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 77.98 -18.61 4.92 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 120.58 -0.819 . . . . 0.0 114.351 173.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.439 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 23.1 m-85 -75.25 148.11 39.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.507 0.653 . . . . 0.0 111.182 -178.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.605 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -85.33 137.63 36.8 Favored Pre-proline 0 C--N 1.315 -0.916 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 169.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.664 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 86.4 Cg_exo -41.14 -50.92 4.12 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.636 2.224 . . . . 0.0 112.453 -177.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -56.91 -42.9 80.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.745 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.605 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 38.4 mm-40 -61.8 -33.12 73.54 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.439 0.638 . . . . 0.0 110.493 -176.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.471 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 18.8 tp -81.47 -28.46 34.11 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.105 -177.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 57.2 mt -60.85 117.51 5.51 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.461 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.64 -28.35 7.13 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.869 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.807 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 10.5 mmpt? -91.03 155.14 18.91 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.972 0.415 . . . . 0.0 110.236 178.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.531 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 10.0 t-20 -87.1 144.05 27.04 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 170.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.427 HG13 ' HE2' ' A' ' 78' ' ' PHE . 15.2 tt -58.32 -25.04 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.033 175.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.3 p -72.41 -23.58 21.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.721 0.296 . . . . 0.0 110.607 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.531 ' HG3' ' HB3' ' A' ' 44' ' ' ASN . 46.4 mt-10 -72.81 -19.32 61.36 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.109 0.481 . . . . 0.0 110.486 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -118.48 17.4 13.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.248 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.403 ' SG ' HD22 ' A' ' 57' ' ' LEU . 41.8 t -98.64 132.03 44.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.057 173.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.599 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 54.9 t60 -46.86 123.4 7.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.116 174.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.457 ' HA ' ' CD ' ' A' ' 54' ' ' GLN . 6.9 Cg_endo -49.79 -23.23 8.15 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 124.202 3.268 . . . . 0.0 114.758 -172.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -87.55 -6.13 58.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.261 -0.275 . . . . 0.0 111.413 -178.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.567 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 45.6 m-20 -110.52 -17.87 13.33 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 120.728 0.299 . . . . 0.0 110.41 -178.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.457 ' CD ' ' HA ' ' A' ' 51' ' ' PRO . 81.2 mt-30 -53.67 -29.28 37.9 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.259 0.624 . . . . 0.0 111.953 -178.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -74.08 -48.8 27.27 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.746 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 53' ' ' ASP . 4.6 pp -66.53 -29.85 70.03 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.923 0.868 . . . . 0.0 108.991 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.533 ' N ' HD12 ' A' ' 56' ' ' LEU . 20.6 tp -64.22 -52.12 60.37 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.854 174.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 54' ' ' GLN . 98.4 mtt180 -55.59 -48.1 75.39 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.269 0.556 . . . . 0.0 110.203 175.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.628 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 23.1 t70 -61.04 -41.56 96.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.423 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.4 p -65.13 -41.53 94.73 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.38 0.609 . . . . 0.0 110.801 -175.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.519 ' O ' HG23 ' A' ' 65' ' ' VAL . 4.1 m-85 -60.31 -37.92 82.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.909 176.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 30.9 mm-40 -68.57 -37.07 79.57 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.664 178.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.628 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 31.0 mm-40 -62.1 -48.33 80.65 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.495 HG11 ' OG ' ' A' ' 92' ' ' SER . 10.6 p -70.75 -24.34 24.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.589 -176.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 61' ' ' PHE . 70.8 t -70.63 -27.99 32.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.469 0.652 . . . . 0.0 109.429 174.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -83.86 -31.77 25.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.447 174.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.609 HD12 HD23 ' A' ' 72' ' ' LEU . 54.0 mt -90.72 29.38 1.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.108 -177.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.468 ' HD3' ' OE1' ' A' ' 96' ' ' GLN . 95.2 mttt -36.47 101.7 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.2 -27.52 6.08 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.758 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -97.11 142.41 29.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.796 0.331 . . . . 0.0 110.572 -178.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.5 t -77.77 120.37 28.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.947 177.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.609 HD23 HD12 ' A' ' 67' ' ' LEU . 1.3 tm? -113.78 115.52 27.91 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -177.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.1 p -100.35 126.76 46.75 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.296 0.569 . . . . 0.0 111.654 -175.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.2 p -115.57 130.06 70.83 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 CA-C-O 121.872 0.844 . . . . 0.0 110.338 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.8 ttt -105.43 126.99 52.74 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 114.413 -1.267 . . . . 0.0 109.362 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -159.48 178.57 9.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.931 -174.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.599 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 41.1 mtt180 -102.16 115.07 29.77 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.523 ' CD1' HG11 ' A' ' 33' ' ' VAL . 15.9 t80 -99.1 140.28 33.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.686 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 15.1 ttp180 -81.43 118.95 23.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.062 0.458 . . . . 0.0 111.688 -178.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.495 ' HB2' HD21 ' A' ' 86' ' ' LEU . 32.1 t -78.33 177.29 8.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.529 173.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.67 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 19.6 tptm -69.53 -7.21 36.34 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 111.023 -177.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -103.48 11.79 35.97 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.576 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 66.43 25.2 10.29 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 114.552 -1.204 . . . . 0.0 112.035 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.686 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 23.1 mm-40 -101.6 167.66 9.98 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.321 175.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.563 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 68.6 m95 -120.05 93.97 4.23 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.162 -173.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.55 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -93.48 155.18 17.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.308 0.575 . . . . 0.0 111.846 -175.03 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.431 ' HB2' ' HB2' ' A' ' 114' ' ' LYS . 97.2 m95 -80.26 97.62 7.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.673 -177.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.496 ' CE ' ' HB3' ' A' ' 110' ' ' ASN . 0.5 OUTLIER -112.06 132.19 54.97 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.525 177.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -100.84 111.61 23.86 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.425 ' CG2' ' HB2' ' A' ' 108' ' ' CYS . 85.4 m -95.97 122.18 38.51 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.664 -177.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 34.1 m -95.57 120.13 35.27 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.495 ' OG ' HG11 ' A' ' 64' ' ' VAL . 11.3 t -101.29 153.85 19.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.47 0.652 . . . . 0.0 111.231 -173.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.57 ' HE2' ' HD1' ' A' ' 95' ' ' PHE . 55.5 t80 -156.09 133.3 10.69 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.164 -1.38 . . . . 0.0 108.648 173.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.481 HG21 ' HA ' ' A' ' 65' ' ' VAL . 42.7 p -87.47 103.33 15.42 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.57 ' HD1' ' HE2' ' A' ' 93' ' ' PHE . 16.8 t80 -73.08 110.16 7.16 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.595 0.712 . . . . 0.0 109.576 -176.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.621 ' HG2' HG12 ' A' ' 103' ' ' ILE . 24.7 mt-30 -110.76 147.55 34.19 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.009 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -68.05 114.54 21.36 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 174.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -56.79 -17.81 24.71 Favored 'Trans proline' 0 N--CA 1.472 0.223 0 C-N-CA 123.179 2.586 . . . . 0.0 113.027 -175.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -101.83 -2.42 30.04 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.28 -176.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.1 m -131.94 -21.14 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -176.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.4 t70 67.48 14.32 9.57 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.368 0.604 . . . . 0.0 111.345 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -105.04 152.28 22.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.826 -0.546 . . . . 0.0 110.267 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.621 HG12 ' HG2' ' A' ' 96' ' ' GLN . 69.1 mt -88.72 131.79 35.24 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.46 0 CA-C-O 120.9 0.381 . . . . 0.0 110.553 -175.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 4.0 pt-20 -94.72 -39.9 10.06 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.018 173.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -174.13 175.87 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.972 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.487 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 67.5 mt -98.62 144.29 11.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.433 HG12 ' HG2' ' A' ' 15' ' ' ARG . 46.7 mt -117.41 115.21 47.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 175.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 91' ' ' SER . 22.3 p -117.95 135.12 54.33 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.398 0.618 . . . . 0.0 111.308 -174.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 26.4 m -94.09 121.53 35.67 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.736 171.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.496 ' HB3' ' CE ' ' A' ' 88' ' ' MET . 16.1 m120 -108.46 109.32 20.56 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 -175.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.4 m -117.7 130.31 56.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.93 0.395 . . . . 0.0 111.238 -173.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -83.26 112.9 20.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.096 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.465 ' HB ' ' H ' ' A' ' 114' ' ' LYS . 12.6 t -94.42 -84.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.528 0.68 . . . . 0.0 109.265 177.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.465 ' H ' ' HB ' ' A' ' 113' ' ' VAL . 48.5 mtpt -98.12 167.39 10.91 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.988 172.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.454 ' HA ' ' CB ' ' A' ' 86' ' ' LEU . 3.1 p-10 -115.86 8.27 14.72 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.687 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.5 t 68.42 -76.19 0.06 Allowed 'General case' 0 C--N 1.332 -0.156 0 O-C-N 124.048 0.842 . . . . 0.0 111.109 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.9 p -159.14 178.79 9.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.619 0.247 . . . . 0.0 111.047 -174.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -132.02 77.94 1.79 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.363 -173.937 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.693 ' HB3' ' HG2' ' A' ' 38' ' ' GLN . . . -134.23 92.34 2.92 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.91 0.386 . . . . 0.0 110.482 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -171.89 -66.24 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.489 -175.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -92.2 112.63 24.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.561 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -164.47 150.74 10.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.8 p -171.39 150.24 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -178.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.1 t 70.07 65.24 0.22 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.638 0.732 . . . . 0.0 109.832 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.759 ' HA ' HE21 ' A' ' 8' ' ' GLN . 0.0 OUTLIER -118.61 151.02 49.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.726 -179.725 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.867 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 48.9 Cg_exo -57.34 164.23 7.21 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.817 2.345 . . . . 0.0 112.348 175.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.74 17.71 18.69 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.051 0.453 . . . . 0.0 111.811 -171.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 0.5 OUTLIER -133.73 135.74 44.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 169.595 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -127.91 151.35 49.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.075 0.464 . . . . 0.0 111.253 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.3 mt -98.4 120.82 48.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.885 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.8 p -118.02 125.0 49.51 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.061 0.458 . . . . 0.0 110.368 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -105.94 124.18 49.16 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 176.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.528 ' HB3' ' HA ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -145.16 158.2 43.88 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -170.032 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.632 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -59.19 144.81 44.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 113.861 -1.518 . . . . 0.0 109.387 176.288 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.8 pt -53.23 -24.43 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -170.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -78.03 -12.32 59.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.688 0.28 . . . . 0.0 110.902 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.81 4.05 21.51 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.66 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.632 ' HB ' ' HB3' ' A' ' 17' ' ' ASN . 41.4 mm -82.09 111.43 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 116.776 0.288 . . . . 0.0 110.904 -172.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.528 ' HA ' ' HB3' ' A' ' 16' ' ' HIS . 96.5 m-85 -63.96 118.63 8.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.867 0.365 . . . . 0.0 111.759 -177.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 p -108.63 -30.22 8.33 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.292 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -139.3 122.65 17.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.384 176.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.9 t -129.3 136.44 59.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.673 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -84.49 149.5 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.31 0.576 . . . . 0.0 110.9 176.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -54.8 -20.95 9.69 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.88 -173.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.867 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 80.1 mtm180 -63.28 -8.41 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 111.816 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.1 p -63.19 -33.17 74.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.625 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.76 HG12 ' HA ' ' A' ' 36' ' ' GLN . 3.9 m -66.25 -32.16 56.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.945 0.402 . . . . 0.0 110.957 -174.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' A' ' 8' ' ' GLN . . . -80.31 -52.82 7.25 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.69 178.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -54.95 -55.34 31.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.664 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.2 m -127.69 11.38 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -169.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 81' ' ' LYS . . . 75.29 -28.96 1.18 Allowed Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.8 -0.714 . . . . 0.0 114.051 175.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -70.18 139.07 52.28 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 120.979 0.418 . . . . 0.0 110.114 -177.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.76 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -83.55 153.43 64.99 Favored Pre-proline 0 C--N 1.316 -0.878 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 173.615 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.729 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 81.7 Cg_exo -45.67 -50.48 9.4 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 122.71 2.273 . . . . 0.0 112.809 -174.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.693 ' HG2' ' HB3' ' A' ' 2' ' ' ALA . 15.8 mm100 -60.07 -40.82 90.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.098 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -62.0 -30.46 70.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.261 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 14.5 tp -88.62 -26.49 21.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.407 -178.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.729 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 66.6 mt -64.0 115.6 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.947 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.31 -12.61 28.49 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.111 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.55 ' HE2' ' CZ ' ' A' ' 48' ' ' PHE . 29.5 mmmt -99.74 155.29 17.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.778 0.323 . . . . 0.0 110.679 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.633 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 29.1 t-20 -90.66 140.69 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 171.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.468 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 14.0 tt -59.4 -25.16 30.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.793 176.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.1 t -73.18 -27.66 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.055 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.633 ' HG3' ' HB3' ' A' ' 44' ' ' ASN . 37.7 mt-10 -61.47 -39.83 92.31 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.991 0.424 . . . . 0.0 110.542 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.55 ' CZ ' ' HE2' ' A' ' 43' ' ' LYS . 37.0 m-85 -102.13 17.05 24.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.082 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.452 ' SG ' HD12 ' A' ' 57' ' ' LEU . 44.2 t -90.5 132.95 35.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.233 172.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.618 ' HB3' ' CB ' ' A' ' 53' ' ' ASP . 26.0 t-80 -46.59 134.48 7.88 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.653 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -48.57 -53.08 7.39 Favored 'Trans proline' 0 N--CA 1.478 0.582 0 C-N-CA 122.817 2.345 . . . . 0.0 113.954 -172.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.408 ' HG2' ' ND1' ' A' ' 50' ' ' HIS . 7.7 pt-20 -70.16 -5.92 30.58 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.029 0.442 . . . . 0.0 111.611 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.654 ' OD2' ' HB2' ' A' ' 76' ' ' PHE . 29.8 t70 -110.36 -7.04 14.84 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.726 0.774 . . . . 0.0 109.546 -164.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -70.7 -37.0 73.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.961 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -37.04 85.71 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tt -60.09 -52.95 63.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.408 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 57' ' ' LEU . 10.8 mt -59.19 -44.59 92.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.721 176.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.608 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 24.0 ttt180 -53.19 -56.74 14.03 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.48 0.487 . . . . 0.0 110.964 -177.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.643 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 30.6 t70 -62.34 -44.32 96.76 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.051 0.453 . . . . 0.0 110.943 -177.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.8 m -65.88 -33.4 75.76 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.165 -175.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.495 ' O ' HG23 ' A' ' 65' ' ' VAL . 12.4 m-85 -69.29 -39.12 78.52 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 174.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.608 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 15.2 mm100 -62.71 -39.58 94.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.444 177.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.643 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 82.9 mm-40 -57.35 -50.07 74.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.517 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.506 HG11 ' OG ' ' A' ' 92' ' ' SER . 10.7 p -72.58 -22.71 20.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 120.961 0.41 . . . . 0.0 110.877 -177.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.563 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 64.9 t -71.17 -34.56 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 173.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 29.5 mtpp -72.25 -36.68 69.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.948 173.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.817 HD11 HD13 ' A' ' 72' ' ' LEU . 50.5 mt -61.53 -58.76 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.32 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.581 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 96.3 mttt 55.51 93.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 O-C-N 124.02 0.825 . . . . 0.0 111.851 -177.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.99 -14.0 34.19 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.982 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.475 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 14.6 mm100 -104.52 137.45 42.37 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.911 0.355 . . . . 0.0 110.802 -178.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 92' ' ' SER . 68.2 t -77.81 126.5 38.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.074 177.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.817 HD13 HD11 ' A' ' 67' ' ' LEU . 13.7 tp -117.76 137.51 52.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.51 -176.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.9 p -99.77 121.52 41.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.874 0.369 . . . . 0.0 110.991 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.8 p -125.7 131.8 71.56 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 CA-C-O 121.753 0.787 . . . . 0.0 109.97 174.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 24.3 ttt -111.64 121.75 45.97 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 114.569 -1.196 . . . . 0.0 109.757 -174.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.654 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . 28.9 p90 -151.8 178.73 9.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.228 -170.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.507 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 40.9 mtm180 -111.33 114.92 28.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.943 0.401 . . . . 0.0 110.92 -176.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -96.81 137.26 36.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.655 -177.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.595 ' NH2' ' HG3' ' A' ' 83' ' ' GLN . 32.2 ttt180 -82.59 104.36 12.8 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.054 0.454 . . . . 0.0 110.618 176.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.5 t -64.5 174.72 1.61 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.331 175.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.444 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . 25.9 tptp -68.92 -5.89 24.08 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.842 0.857 . . . . 0.0 110.989 -177.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -98.5 8.05 45.38 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.595 ' HG3' ' NH2' ' A' ' 79' ' ' ARG . 2.5 mp0 65.27 29.57 11.61 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.404 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.567 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 13.7 pt-20 -112.21 155.41 24.03 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.193 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.476 ' CZ3' ' HB2' ' A' ' 79' ' ' ARG . 42.9 m95 -111.06 107.36 16.72 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -176.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.527 ' HA ' ' HA ' ' A' ' 116' ' ' SER . 1.2 pp -110.94 158.49 18.7 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.293 -177.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -81.25 133.63 35.47 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 120.988 0.423 . . . . 0.0 110.297 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.557 ' HA ' HG22 ' A' ' 113' ' ' VAL . 10.0 ptp -142.68 143.42 32.31 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.285 170.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -106.74 111.18 23.59 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 109' ' ' THR . 91.4 m -99.56 136.95 38.73 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 114.695 -1.138 . . . . 0.0 111.333 -176.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.412 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 15.9 m -96.59 120.18 36.43 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.222 175.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.506 ' OG ' HG11 ' A' ' 64' ' ' VAL . 9.3 t -98.08 155.63 17.04 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.339 0.59 . . . . 0.0 110.224 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 80.3 t80 -154.15 134.62 13.46 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.464 176.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.706 ' HB ' HD12 ' A' ' 103' ' ' ILE . 2.7 p -103.03 106.47 17.0 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 120.481 -0.488 . . . . 0.0 109.816 177.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.522 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 7.4 t80 -70.42 109.22 4.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.93 -171.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.474 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 49.2 mt-30 -91.85 127.73 37.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.293 177.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.448 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 52.3 t-20 -64.0 117.43 35.94 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 173.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.86 -14.27 21.74 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 123.038 2.492 . . . . 0.0 113.487 -174.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -117.98 4.99 12.09 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.448 ' HB2' ' HB3' ' A' ' 97' ' ' ASN . 25.3 m -141.98 -14.99 0.8 Allowed 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -174.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.3 t70 71.57 -15.11 0.45 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.151 0.58 . . . . 0.0 112.132 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 17.8 pt-20 -63.47 157.44 23.39 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 123.014 0.526 . . . . 0.0 111.297 -177.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.706 HD12 ' HB ' ' A' ' 94' ' ' THR . 48.6 mm -93.51 112.24 26.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 174.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -64.39 -47.48 79.08 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.693 0.759 . . . . 0.0 109.066 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -176.38 176.5 1.63 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.062 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.459 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 57.0 mt -97.16 142.2 14.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 175.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 47.3 mt -114.13 111.77 37.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 91.5 m -111.07 116.98 32.07 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.353 0.597 . . . . 0.0 111.23 -177.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' A' ' 90' ' ' THR . 8.0 m -93.19 109.53 21.04 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 173.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.469 ' O ' ' HA ' ' A' ' 11' ' ' GLU . 14.5 m120 -95.18 110.13 22.14 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -171.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.8 m -109.43 121.24 44.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.746 0.308 . . . . 0.0 110.858 -177.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.7 110.54 13.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.197 0.522 . . . . 0.0 110.217 -176.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.557 HG22 ' HA ' ' A' ' 88' ' ' MET . 0.6 OUTLIER -88.11 -174.97 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.929 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.133 175.647 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -74.83 165.79 24.67 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.51 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 68.97 171.46 0.3 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.49 173.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.527 ' HA ' ' HA ' ' A' ' 86' ' ' LEU . 19.0 m -148.33 -41.02 0.16 Allowed 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.181 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.6 m 64.42 67.82 0.56 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.558 0.694 . . . . 0.0 109.523 -173.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -62.55 -35.19 78.66 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.113 -176.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.669 -0.682 . . . . 0.0 109.23 -176.116 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 112.061 -0.415 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.672 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -98.33 -77.39 0.51 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.84 -0.212 . . . . 0.0 111.123 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.2 mmt 68.29 176.91 0.26 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.618 0.574 . . . . 0.0 112.037 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 57.42 27.08 13.37 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.421 -178.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.648 ' HB2' HG21 ' A' ' 30' ' ' VAL . 15.7 p30 -123.61 25.47 8.15 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.563 -175.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 m -81.35 110.05 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.185 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.3 t 59.22 70.3 0.66 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.791 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.573 ' HB3' ' HG2' ' A' ' 28' ' ' ARG . 15.7 mm100 -98.17 147.89 33.72 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.399 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.482 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 76.3 Cg_exo -52.39 158.43 5.58 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.002 2.468 . . . . 0.0 112.311 174.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -83.51 8.5 13.84 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.443 0.64 . . . . 0.0 111.648 -172.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.666 ' HG2' ' HA ' ' A' ' 111' ' ' THR . 45.9 mt-10 -119.12 134.67 55.06 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 175.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -126.06 133.27 51.75 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.6 mt -93.64 125.37 46.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.464 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.5 p -131.05 140.34 50.06 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.234 0.54 . . . . 0.0 111.091 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.423 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 49.3 mtt180 -111.13 123.44 50.21 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.453 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -146.53 153.03 39.92 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.042 -170.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -74.93 154.23 38.25 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.421 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 26.1 pt -53.34 -21.12 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 O-C-N 124.43 1.082 . . . . 0.0 113.714 -168.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -73.55 -9.1 58.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.356 0.598 . . . . 0.0 110.739 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 44' ' ' ASN . . . 100.78 4.49 54.5 Favored Glycine 0 N--CA 1.44 -1.092 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 -177.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 31.7 mm -78.87 114.82 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 O-C-N 123.564 0.214 . . . . 0.0 110.989 -174.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.487 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 96.6 m-85 -75.51 122.25 23.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.036 0.446 . . . . 0.0 111.106 -178.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.1 p -110.43 -29.58 8.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.835 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.423 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 83.4 t80 -135.59 117.64 15.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.048 176.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.0 t -123.57 130.37 74.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.813 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -74.72 148.52 40.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.154 0.502 . . . . 0.0 110.221 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 5' ' ' ASN . 35.0 m80 -60.51 -15.31 25.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.579 -174.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.656 ' HD2' ' O ' ' A' ' 11' ' ' GLU . 56.8 mtm180 -64.82 -11.14 33.91 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.5 p -57.79 -34.43 69.6 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.818 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.648 HG21 ' HB2' ' A' ' 5' ' ' ASN . 4.0 m -66.94 -30.37 49.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.447 -177.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.99 -51.39 9.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 -177.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.539 HG23 ' HB2' ' A' ' 112' ' ' ASN . 7.4 m -65.33 -50.46 65.57 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.422 HG11 ' CD1' ' A' ' 78' ' ' PHE . 35.1 m -129.36 14.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -169.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.59 -26.89 0.89 Allowed Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.938 -0.648 . . . . 0.0 114.39 174.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -70.3 140.29 52.26 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.261 0.553 . . . . 0.0 110.022 -177.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.646 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 15.4 mm-40 -84.13 154.85 63.88 Favored Pre-proline 0 C--N 1.311 -1.105 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 176.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.672 ' HD2' ' HB1' ' A' ' 2' ' ' ALA . 76.5 Cg_exo -47.95 -50.23 12.24 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.35 2.033 . . . . 0.0 111.868 -176.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -54.91 -46.39 74.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.386 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.646 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 8.7 mm-40 -62.65 -29.77 70.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.689 -172.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.3 tp -89.34 -25.63 21.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.274 -174.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 85.0 mt -60.36 115.32 3.45 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.051 0.453 . . . . 0.0 111.345 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.12 -12.84 34.1 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.29 178.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.657 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 9.3 mmpt? -102.1 154.25 19.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.537 0.208 . . . . 0.0 110.48 -178.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.649 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 8.5 m120 -84.73 146.23 27.52 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.487 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 13.2 tt -61.33 -25.95 37.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.21 171.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.447 HG12 ' HB3' ' A' ' 44' ' ' ASN . 8.1 p -74.87 -15.7 16.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.21 -178.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.649 ' HG2' ' HB2' ' A' ' 44' ' ' ASN . 16.6 mm-40 -76.23 -29.42 57.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.145 0.497 . . . . 0.0 110.758 179.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -113.73 14.45 18.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.344 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.43 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 41.0 t -87.41 142.5 27.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.18 176.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.71 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 39.0 t-80 -49.85 127.03 19.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.02 173.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -49.33 -34.04 30.84 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 124.473 3.449 . . . . 0.0 114.59 -171.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -82.79 -9.86 59.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 111.355 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.3 m-20 -110.2 -13.04 14.41 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -170.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 50' ' ' HIS . 78.8 mt-30 -59.9 -41.05 90.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.925 -176.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -77.32 -31.17 54.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.431 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 tt -68.51 -49.11 62.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 122.131 0.967 . . . . 0.0 108.497 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.707 ' HA ' HG21 ' A' ' 74' ' ' VAL . 0.3 OUTLIER -61.25 -43.86 98.19 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 113.672 -1.604 . . . . 0.0 110.268 175.425 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.58 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 80.0 ttt180 -56.41 -54.4 46.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.811 0.339 . . . . 0.0 110.805 178.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.3 -32.7 68.69 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.495 0.664 . . . . 0.0 111.103 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.9 m -77.06 -32.43 56.82 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.899 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.534 ' O ' HG12 ' A' ' 64' ' ' VAL . 4.7 m-30 -69.54 -32.44 71.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.277 0.56 . . . . 0.0 109.773 173.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 58' ' ' ARG . 33.6 mt-30 -64.24 -38.72 92.07 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 174.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -70.01 -32.09 70.07 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.432 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 61' ' ' PHE . 8.6 p -71.87 -25.82 24.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 119.314 -0.954 . . . . 0.0 110.088 177.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 62.7 t -74.14 -25.9 20.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 171.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.555 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 59.6 mtpt -80.53 -38.26 29.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.433 176.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.865 HD12 HD23 ' A' ' 72' ' ' LEU . 43.0 mt -95.78 30.45 2.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.798 -176.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 65' ' ' VAL . 95.0 mttt -29.86 109.99 0.05 Allowed 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.06 -18.9 33.29 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.607 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.447 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 23.0 mt-30 -95.12 144.83 25.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.746 0.308 . . . . 0.0 110.694 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.2 p -77.02 116.82 20.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.396 0.617 . . . . 0.0 109.758 173.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.865 HD23 HD12 ' A' ' 67' ' ' LEU . 1.6 tm? -103.68 115.33 30.3 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -179.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.6 p -89.99 121.23 31.89 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.866 0.365 . . . . 0.0 110.911 -177.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.707 HG21 ' HA ' ' A' ' 57' ' ' LEU . 2.4 p -124.24 128.4 73.85 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 CA-C-O 121.729 0.776 . . . . 0.0 110.399 175.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 11.1 ttt -107.13 128.16 54.14 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.475 -1.238 . . . . 0.0 109.877 -176.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.413 ' HZ ' HD11 ' A' ' 45' ' ' ILE . 19.3 p90 -161.51 178.66 8.89 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.159 -175.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.71 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 81.9 mtp180 -108.35 123.12 48.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.848 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.52 ' O ' ' HA ' ' A' ' 85' ' ' TRP . 2.1 t80 -98.23 139.88 33.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.587 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.58 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 36.9 ttp180 -82.02 109.16 16.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.168 0.509 . . . . 0.0 111.092 178.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.5 p -65.97 175.61 1.96 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.343 172.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -72.63 -8.65 56.34 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 -175.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -102.04 10.13 39.82 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.447 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 2.0 mp0 67.03 40.84 2.81 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 114.69 -1.141 . . . . 0.0 112.333 174.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.58 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 36.9 mm-40 -115.94 159.98 20.85 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.582 170.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.557 ' CZ3' ' HB2' ' A' ' 79' ' ' ARG . 11.5 m95 -115.43 92.12 3.82 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -173.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.649 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -83.85 163.32 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.619 -178.068 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.42 ' HB2' ' HG3' ' A' ' 114' ' ' LYS . 90.1 m95 -90.32 121.67 32.54 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.908 -175.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 13.1 ptp -135.04 148.82 50.01 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.605 176.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -111.62 112.58 24.39 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 173.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 108' ' ' CYS . 96.5 m -93.54 131.59 38.65 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.834 -176.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.4 m -90.17 110.09 21.13 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.088 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.618 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 9.7 m -92.68 128.16 38.44 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.415 -174.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 67.0 t80 -131.01 135.22 47.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.443 173.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.784 ' HB ' HD12 ' A' ' 103' ' ' ILE . 4.1 p -104.34 112.25 25.21 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.956 0.408 . . . . 0.0 110.209 175.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.433 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 5.1 t80 -81.72 103.07 11.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.23 0.538 . . . . 0.0 111.166 -173.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 51.7 mt-30 -75.02 115.67 14.9 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.863 173.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.44 ' HA ' ' HD2' ' A' ' 98' ' ' PRO . 27.2 t-20 -59.46 120.99 53.45 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.919 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.453 ' HG2' ' CE1' ' A' ' 99' ' ' TYR . 6.1 Cg_endo -50.77 -26.14 16.92 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 123.772 2.982 . . . . 0.0 113.737 -174.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.453 ' CE1' ' HG2' ' A' ' 98' ' ' PRO . 17.0 m-85 -106.42 8.25 31.49 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 -173.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 41.6 m -147.11 -18.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -176.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 63.46 7.88 3.24 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.406 0.682 . . . . 0.0 112.368 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.619 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 8.2 pt-20 -89.15 169.56 11.37 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 176.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.784 HD12 ' HB ' ' A' ' 94' ' ' THR . 48.9 mm -94.94 104.61 15.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 176.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -68.29 -36.3 79.15 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.211 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -174.76 176.37 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.059 176.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.453 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 64.5 mt -99.22 141.6 16.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.829 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 71.2 mt -114.59 107.49 23.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 177.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.438 ' HB2' ' CG2' ' A' ' 90' ' ' THR . 13.9 p -118.64 119.54 34.79 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.381 0.61 . . . . 0.0 112.029 -172.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.0 m -89.87 134.91 33.94 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 171.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -118.15 111.62 19.09 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -171.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.666 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 58.5 m -107.41 110.42 22.38 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.084 -175.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.539 ' HB2' HG23 ' A' ' 32' ' ' THR . 2.4 t-20 -81.3 109.91 16.25 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.01 -178.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 38.7 t -82.81 -95.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.065 -175.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.42 ' HG3' ' HB2' ' A' ' 87' ' ' TRP . 7.2 ptpp? -94.8 176.42 6.27 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 172.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 33.1 p30 -115.24 167.71 10.6 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.051 -174.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.541 ' HB2' ' O ' ' A' ' 85' ' ' TRP . 30.3 t -71.16 94.69 1.17 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.353 -0.839 . . . . 0.0 108.826 176.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.1 m -77.28 59.12 1.74 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.711 0.767 . . . . 0.0 110.104 -177.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -120.83 36.26 4.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.283 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 C--O 1.246 0.913 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.001 177.468 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.791 -0.523 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.457 ' HA ' HE21 ' A' ' 36' ' ' GLN . . . 58.11 68.05 0.88 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.134 0.492 . . . . 0.0 111.459 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.483 ' CE ' ' HA ' ' A' ' 3' ' ' MET . 22.3 mmt -77.47 168.11 20.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.717 178.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.406 ' O ' HG21 ' A' ' 30' ' ' VAL . 8.4 p-10 -81.78 -45.27 15.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.219 -177.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.474 ' O ' ' HB ' ' A' ' 6' ' ' VAL . 85.9 m-20 54.01 47.69 22.8 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 -175.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 95.4 t 76.92 143.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.269 -178.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -58.78 105.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.186 0.517 . . . . 0.0 111.14 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.714 ' HB3' ' HA ' ' A' ' 28' ' ' ARG . 74.5 mm-40 -104.3 144.66 29.15 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.176 -176.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 8' ' ' GLN . 14.1 Cg_exo -71.66 165.94 30.97 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.896 3.064 . . . . 0.0 112.011 172.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.55 HG22 ' HA ' ' A' ' 32' ' ' THR . 1.1 p -86.23 29.41 0.75 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.428 0.632 . . . . 0.0 111.929 -179.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 1.7 tm-20 -131.49 134.16 45.86 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 171.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.644 ' HB3' ' HB2' ' A' ' 28' ' ' ARG . 47.3 p90 -144.96 147.63 32.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.835 0.35 . . . . 0.0 110.996 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.6 mt -93.95 128.7 45.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.2 p -126.95 136.36 52.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.317 0.58 . . . . 0.0 110.866 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.508 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 69.9 mtt180 -111.1 126.55 54.95 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 176.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' HB3' ' HA ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -150.36 152.11 33.89 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.29 -172.72 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -73.01 155.4 39.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.462 ' HA ' HG13 ' A' ' 106' ' ' ILE . 37.3 pt -49.79 -27.36 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -167.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.01 -15.92 63.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.867 0.365 . . . . 0.0 111.198 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.59 4.4 32.27 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.89 -175.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.9 mm -83.0 115.48 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 121.957 0.103 . . . . 0.0 111.027 -172.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.601 ' CZ ' ' HB ' ' A' ' 45' ' ' ILE . 97.8 m-85 -71.31 129.45 38.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.905 0.383 . . . . 0.0 111.753 -175.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.8 p -112.44 -24.58 9.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.742 176.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.508 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 87.2 t80 -144.16 127.4 16.7 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.58 176.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.419 HG21 HD23 ' A' ' 40' ' ' LEU . 87.3 t -131.11 135.73 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.809 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.567 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 13.3 t70 -81.41 149.68 28.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.281 0.563 . . . . 0.0 110.774 176.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.421 ' HA ' ' HG3' ' A' ' 37' ' ' PRO . 66.1 m80 -52.06 -23.98 6.1 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 114.816 -1.084 . . . . 0.0 113.322 -174.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.714 ' HA ' ' HB3' ' A' ' 8' ' ' GLN . 87.8 mtt180 -63.33 -9.04 10.2 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.786 0.327 . . . . 0.0 111.692 -178.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 39.7 t -60.32 -36.53 78.14 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.499 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.734 HG12 ' HA ' ' A' ' 36' ' ' GLN . 5.2 m -65.56 -34.51 70.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.244 -175.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.11 -50.85 10.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.996 0.427 . . . . 0.0 110.379 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.55 ' HA ' HG22 ' A' ' 10' ' ' THR . 5.7 m -56.04 -55.1 37.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.619 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.52 HG12 HD11 ' A' ' 86' ' ' LEU . 22.2 m -135.16 16.95 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -170.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.44 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 78.08 -28.09 1.97 Allowed Glycine 0 CA--C 1.517 0.194 0 C-N-CA 120.677 -0.773 . . . . 0.0 114.48 173.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -70.57 133.64 46.92 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 117.478 0.639 . . . . 0.0 110.192 -177.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.734 ' HA ' HG12 ' A' ' 30' ' ' VAL . 57.7 mm-40 -78.53 147.79 72.3 Favored Pre-proline 0 C--N 1.308 -1.211 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 175.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.657 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 76.2 Cg_exo -41.38 -51.33 4.16 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.564 2.176 . . . . 0.0 112.42 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -63.06 -39.32 94.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.999 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -64.78 -26.58 68.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.296 -175.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 18.0 tp -91.0 -24.24 20.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.546 -177.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 56.3 mt -61.97 124.71 21.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.706 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.64 -15.81 55.41 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.725 175.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -112.84 161.64 16.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.849 0.357 . . . . 0.0 110.808 -176.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -90.8 140.84 29.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.568 -172.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.601 ' HB ' ' CZ ' ' A' ' 22' ' ' PHE . 13.8 tt -61.8 -28.37 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.52 173.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.4 t -70.74 -29.86 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.375 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.57 -24.63 65.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.092 0.473 . . . . 0.0 110.57 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -114.3 20.32 15.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.053 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.556 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 53.7 t -96.42 145.49 25.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.017 175.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.552 ' HA ' ' CE3' ' A' ' 85' ' ' TRP . 18.4 t-80 -44.06 126.91 4.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.66 173.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.38 -18.52 25.07 Favored 'Trans proline' 0 N--CA 1.477 0.52 0 C-N-CA 123.07 2.513 . . . . 0.0 113.45 -173.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -97.24 -6.52 34.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.29 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -116.45 -0.26 12.56 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -172.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.556 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 77.6 mt-30 -69.68 -32.05 70.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.911 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.03 -44.33 80.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.101 171.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.3 -45.99 79.99 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.224 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.455 HD23 HG21 ' A' ' 74' ' ' VAL . 12.4 mt -61.52 -45.58 93.61 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.696 174.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.513 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 41.7 ttt180 -53.11 -54.88 29.16 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.446 0.466 . . . . 0.0 110.484 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.624 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 13.6 t70 -56.13 -48.96 75.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.507 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.4 m -68.05 -33.43 74.55 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.146 -172.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.55 ' O ' HG23 ' A' ' 65' ' ' VAL . 15.4 m-30 -69.62 -35.97 75.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.001 0.429 . . . . 0.0 109.843 175.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 15.9 mm100 -66.07 -39.06 89.77 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 84.0 mm-40 -61.87 -48.16 81.77 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.237 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.06 -24.49 26.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.523 -176.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 61' ' ' PHE . 93.2 t -73.73 -23.84 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.407 0.622 . . . . 0.0 109.771 174.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -88.0 -36.05 17.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.35 0.595 . . . . 0.0 110.252 174.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.516 HD12 HD23 ' A' ' 72' ' ' LEU . 66.6 mt -89.76 29.4 1.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.086 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.582 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 99.3 mttt -34.51 108.62 0.07 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.356 0.662 . . . . 0.0 112.624 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.05 -18.34 26.23 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.823 -0.626 . . . . 0.0 113.179 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.473 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 32.3 mm-40 -95.17 142.19 27.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.0 t -77.67 114.72 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.173 175.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.516 HD23 HD12 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -112.21 113.77 26.19 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -178.32 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.821 ' HB2' ' HE ' ' A' ' 89' ' ' ARG . 32.5 p -91.26 121.95 33.46 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.062 0.458 . . . . 0.0 110.819 -176.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.455 HG21 HD23 ' A' ' 57' ' ' LEU . 4.0 p -116.65 131.12 70.2 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.883 0 CA-C-O 121.678 0.751 . . . . 0.0 110.113 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 20.1 ttt -114.86 124.96 53.07 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.838 -1.074 . . . . 0.0 109.726 -175.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -152.94 178.52 9.59 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.955 -172.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.59 ' HB3' ' HB3' ' A' ' 85' ' ' TRP . 10.8 mtm180 -106.56 107.16 18.03 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.019 0.437 . . . . 0.0 110.559 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.515 ' CD1' HG11 ' A' ' 33' ' ' VAL . 2.9 t80 -83.18 134.49 34.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.246 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.536 ' HG2' ' HA ' ' A' ' 83' ' ' GLN . 24.5 ttp180 -81.76 102.48 10.8 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.709 0.29 . . . . 0.0 110.842 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.498 ' HB3' ' HG2' ' A' ' 84' ' ' GLU . 47.8 t -58.55 173.54 0.39 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.97 172.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.44 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 18.9 tptm -70.99 -8.39 52.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.519 -173.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -99.12 9.16 44.04 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.536 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 2.2 mp0 64.31 44.42 4.31 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.849 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.498 ' HG2' ' HB3' ' A' ' 80' ' ' SER . 10.9 pt-20 -117.45 147.32 42.82 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.462 175.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.59 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 6.4 m95 -106.06 101.42 10.91 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 -172.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.547 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -104.11 157.28 17.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.742 0.306 . . . . 0.0 111.405 -176.397 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.502 ' HB2' ' HB2' ' A' ' 114' ' ' LYS . 72.6 m95 -78.47 110.68 13.77 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.233 0.54 . . . . 0.0 111.939 -173.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.574 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 2.3 tpp -121.57 130.84 53.78 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.122 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.821 ' HE ' ' HB2' ' A' ' 73' ' ' SER . 58.8 ttt180 -107.4 108.78 20.29 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 175.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.447 ' CG2' ' HB3' ' A' ' 108' ' ' CYS . 94.3 m -96.55 132.93 41.64 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.737 -177.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.519 ' OG ' ' HB ' ' A' ' 109' ' ' THR . 35.9 p -90.28 119.85 30.94 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 175.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.6 m -96.85 124.47 40.83 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.586 -175.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.661 ' HE2' ' HD1' ' A' ' 95' ' ' PHE . 61.7 t80 -127.25 135.02 50.03 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 171.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.682 ' HB ' HD12 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -93.19 111.29 22.89 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 109.722 -0.474 . . . . 0.0 109.722 174.725 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.661 ' HD1' ' HE2' ' A' ' 93' ' ' PHE . 9.8 t80 -72.86 95.26 1.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.178 0.513 . . . . 0.0 110.546 -174.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 53.5 mt-30 -82.76 128.93 34.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.655 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -59.61 120.52 49.77 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.327 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.0 -8.49 6.21 Favored 'Trans proline' 0 N--CA 1.474 0.38 0 C-N-CA 123.407 2.738 . . . . 0.0 113.765 -173.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -100.97 -37.23 8.72 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -177.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.9 t -144.41 22.02 1.68 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 119.932 -0.707 . . . . 0.0 112.743 -172.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.48 8.64 3.67 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 172.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 32.5 mt-10 -65.07 148.13 52.22 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 118.173 0.442 . . . . 0.0 110.527 -178.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.682 HD12 ' HB ' ' A' ' 94' ' ' THR . 49.4 mm -91.01 100.99 12.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.943 178.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -58.45 -47.52 83.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.694 176.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.579 ' HE1' HD11 ' A' ' 107' ' ' ILE . 1.4 p90 179.97 -172.13 0.19 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 113.84 -1.527 . . . . 0.0 109.378 -178.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.462 HG13 ' HA ' ' A' ' 18' ' ' ILE . 45.3 mt -100.65 140.19 20.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.579 HD11 ' HE1' ' A' ' 105' ' ' TYR . 21.2 mm -110.38 111.48 36.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 178.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 91' ' ' SER . 57.0 m -121.75 121.93 38.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.3 0.571 . . . . 0.0 112.278 -172.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.519 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 30.5 m -93.48 121.19 34.63 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 169.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.574 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 4.0 m-20 -104.11 110.56 22.79 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -172.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.5 m -116.86 113.53 22.61 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.964 -177.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 88' ' ' MET . 4.7 t-20 -83.14 128.94 34.93 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 18.4 t -105.58 -83.29 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.218 0.532 . . . . 0.0 109.68 -178.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.502 ' HB2' ' HB2' ' A' ' 87' ' ' TRP . 58.2 mtpt -86.98 173.84 9.07 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.67 176.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.85 21.41 13.35 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -177.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.478 ' HA ' ' CD1' ' A' ' 87' ' ' TRP . 23.0 t 71.22 162.99 0.26 Allowed 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.805 -176.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.1 p -76.03 66.34 2.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.206 0.527 . . . . 0.0 109.948 175.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -61.88 -28.61 69.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.915 -177.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 C--O 1.25 1.088 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.597 174.587 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.892 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.85 -68.9 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.565 ' HA ' HE22 ' A' ' 36' ' ' GLN . 43.5 ttp 59.88 45.18 12.74 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.769 0.795 . . . . 0.0 110.103 178.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -149.91 -85.01 0.09 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.284 177.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.436 ' HB3' ' HB3' ' A' ' 27' ' ' HIS . 93.8 m-20 50.69 34.63 10.21 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.399 0.437 . . . . 0.0 111.373 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.603 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 67.7 t 72.16 140.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 O-C-N 123.632 0.583 . . . . 0.0 110.254 -174.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -57.72 114.63 2.37 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.907 0.384 . . . . 0.0 110.617 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.883 ' HB3' ' HG2' ' A' ' 28' ' ' ARG . 80.9 mm-40 -110.63 156.25 40.85 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.93 -172.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.446 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 33.5 Cg_exo -64.09 165.12 20.16 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 123.409 2.739 . . . . 0.0 112.099 169.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m -88.14 25.72 1.54 Allowed 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.437 0.637 . . . . 0.0 111.389 -175.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.517 ' HG2' ' HA ' ' A' ' 111' ' ' THR . 47.5 mt-10 -128.67 135.16 48.89 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 171.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.45 ' HE1' ' HE1' ' A' ' 88' ' ' MET . 40.4 p90 -137.49 144.51 42.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.079 0.466 . . . . 0.0 111.039 178.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -102.9 127.66 56.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.043 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.8 m -131.87 131.75 43.04 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.59 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.0 mtm-85 -101.11 121.17 41.34 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.482 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -135.65 149.79 49.41 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.673 -173.551 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -73.34 156.88 37.94 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.8 pt -53.01 -21.03 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -168.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.512 ' HB2' HG12 ' A' ' 21' ' ' ILE . 40.1 mt-10 -70.35 -18.87 63.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.137 0.494 . . . . 0.0 110.509 176.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.33 3.82 33.08 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.48 -173.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.512 HG12 ' HB2' ' A' ' 19' ' ' GLU . 39.2 mm -84.42 120.07 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 122.169 0.188 . . . . 0.0 111.12 -171.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -73.29 130.14 39.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.701 0.286 . . . . 0.0 110.915 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.5 t -120.98 -16.94 7.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.01 0.434 . . . . 0.0 110.523 177.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -149.69 124.54 9.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.407 . . . . 0.0 109.961 172.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.577 ' HB ' ' HA ' ' A' ' 37' ' ' PRO . 78.1 t -128.68 139.07 52.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.459 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -82.68 148.64 27.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.408 0.623 . . . . 0.0 110.943 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.436 ' HB3' ' HB3' ' A' ' 5' ' ' ASN . 50.3 m80 -59.11 -18.94 40.07 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 114.947 -1.024 . . . . 0.0 113.231 -172.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.883 ' HG2' ' HB3' ' A' ' 8' ' ' GLN . 84.9 mtm180 -64.25 -8.47 12.79 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 111.726 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.1 t -59.57 -34.44 72.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.89 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.9 m -66.51 -36.39 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.069 -175.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.6 -46.8 18.48 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.843 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.7 m -59.69 -49.5 77.5 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.6 HG11 ' CD1' ' A' ' 78' ' ' PHE . 16.6 m -129.53 -21.72 1.42 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.185 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -172.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.98 -21.69 26.87 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 119.486 -1.34 . . . . 0.0 113.041 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.52 ' H ' HG23 ' A' ' 33' ' ' VAL . 17.1 m-85 -72.03 150.47 43.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.134 0.492 . . . . 0.0 110.38 178.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.565 HE22 ' HA ' ' A' ' 3' ' ' MET . 30.5 mm-40 -98.59 153.92 37.73 Favored Pre-proline 0 C--N 1.31 -1.115 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 176.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.635 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 88.0 Cg_exo -43.2 -49.56 7.17 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.065 1.843 . . . . 0.0 111.451 175.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -54.37 -41.01 68.69 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.747 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -64.08 -31.65 72.91 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.06 -171.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.0 mt -89.36 -22.71 22.47 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.661 -177.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 52.7 mt -61.98 106.28 0.69 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.159 0.504 . . . . 0.0 111.195 -177.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.54 -8.42 40.46 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.344 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -112.42 150.8 30.64 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 121.056 0.455 . . . . 0.0 110.01 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.538 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 17.2 t-20 -87.51 145.81 26.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.924 -176.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.6 tt -62.34 -28.27 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.388 175.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.0 p -72.09 -22.09 20.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-O 120.882 0.373 . . . . 0.0 110.455 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.538 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 5.1 mm-40 -64.98 -39.61 93.73 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.351 0.596 . . . . 0.0 109.793 177.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.507 ' HB3' ' HB3' ' A' ' 79' ' ' ARG . 40.0 m-85 -105.12 20.77 18.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.996 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.456 ' SG ' HD12 ' A' ' 57' ' ' LEU . 36.1 t -97.8 129.59 44.78 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.985 174.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 60.3 t60 -48.5 125.77 12.51 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.95 177.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 50' ' ' HIS . 83.2 Cg_exo -48.93 -25.15 8.22 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 124.154 3.236 . . . . 0.0 114.474 -173.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -87.89 -10.17 51.5 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.371 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -112.36 -3.47 14.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.96 0.41 . . . . 0.0 110.049 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -59.77 -45.3 92.7 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.19 -175.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -69.32 -36.14 76.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.299 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.84 -41.66 87.45 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.223 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 76' ' ' PHE . 12.8 mt -65.07 -47.14 78.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.535 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 66.8 mtt180 -58.11 -52.94 63.44 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 120.847 0.356 . . . . 0.0 110.629 -178.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -54.53 -44.35 72.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.099 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.7 m -76.23 -33.62 59.21 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.352 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.531 ' O ' HG12 ' A' ' 64' ' ' VAL . 10.9 m-30 -69.3 -32.55 71.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.06 0.457 . . . . 0.0 109.94 176.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 15.7 mm100 -65.18 -37.34 87.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.42 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 75.3 mt-30 -73.95 -28.84 61.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.447 -178.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 61' ' ' PHE . 9.0 p -72.87 -26.04 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.381 175.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.494 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 58.4 t -75.68 -28.69 19.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 171.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 63' ' ' GLN . 62.9 mtpt -78.49 -23.99 46.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.904 176.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.889 ' HB3' ' HB2' ' A' ' 70' ' ' GLN . 32.3 mt -85.28 -51.61 6.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.509 176.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.787 ' HG2' HD11 ' A' ' 103' ' ' ILE . 98.4 mttt 62.28 95.24 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.523 0.678 . . . . 0.0 112.145 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.85 -11.12 70.05 Favored Glycine 0 C--N 1.317 -0.522 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.365 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.889 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 2.6 mp0 -94.16 137.89 32.82 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.0 p -76.58 121.08 27.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.399 0.619 . . . . 0.0 110.393 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.532 HD23 ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -108.84 114.79 28.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.115 -179.437 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.1 m -91.79 120.93 32.96 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.076 0.465 . . . . 0.0 110.108 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.93 137.33 55.1 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 CA-C-O 121.67 0.747 . . . . 0.0 109.684 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 26.0 ttt -117.39 130.29 56.4 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.108 -172.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.46 ' CD1' HD21 ' A' ' 57' ' ' LEU . 15.5 p90 -152.95 179.28 8.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.602 -173.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 23.6 mtp180 -103.8 106.43 16.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.058 0.456 . . . . 0.0 110.305 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.6 ' CD1' HG11 ' A' ' 33' ' ' VAL . 24.0 t80 -86.09 140.57 30.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.408 -177.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.591 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 5.1 ttm180 -78.72 114.94 18.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.179 0.514 . . . . 0.0 111.384 -177.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 t -64.61 168.55 5.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.635 172.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -65.29 -17.87 64.85 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 121.34 0.591 . . . . 0.0 109.931 176.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -86.42 -1.97 58.03 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.59 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 28.8 mm-40 67.82 23.88 8.35 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 113.508 -1.678 . . . . 0.0 111.275 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.591 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 32.7 mm-40 -82.55 172.57 12.84 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 166.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -128.53 95.12 4.04 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -174.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.582 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -96.43 157.98 15.65 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -170.005 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.52 ' HB2' ' H ' ' A' ' 115' ' ' ASN . 82.3 m95 -75.65 105.38 6.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.217 -0.902 . . . . 0.0 111.885 -177.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.569 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 4.0 tpp -121.85 133.97 54.88 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.718 177.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -109.49 109.18 19.92 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 174.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.451 ' CG2' ' HB3' ' A' ' 108' ' ' CYS . 89.1 m -93.93 131.16 39.65 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.98 -174.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.7 m -88.92 112.53 23.41 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.165 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.467 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 4.2 m -90.25 129.21 36.52 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.617 -175.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.564 ' HE1' ' HD1' ' A' ' 95' ' ' PHE . 36.6 t80 -129.36 135.18 48.39 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 172.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.53 ' HB ' HD13 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -102.76 111.96 24.52 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.007 0.432 . . . . 0.0 110.517 176.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.564 ' HD1' ' HE1' ' A' ' 93' ' ' PHE . 27.0 t80 -79.03 116.73 19.51 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.561 -173.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.486 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 64.4 mt-30 -99.13 147.76 24.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.717 -177.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.443 ' HB2' ' OE2' ' A' ' 104' ' ' GLU . 25.0 t30 -85.05 111.29 34.83 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 169.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.2 1.97 2.13 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 123.191 2.594 . . . . 0.0 113.466 -172.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -108.37 3.88 23.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.333 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.0 t -157.95 -0.29 0.1 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.921 -176.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 49.07 27.28 1.66 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.281 0.632 . . . . 0.0 112.381 -176.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 10.7 pt-20 -91.92 159.75 15.61 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.308 177.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.787 HD11 ' HG2' ' A' ' 68' ' ' LYS . 67.1 mt -102.73 123.48 56.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.265 0.555 . . . . 0.0 110.012 177.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.443 ' OE2' ' HB2' ' A' ' 97' ' ' ASN . 2.1 mt-10 -84.67 -41.28 16.45 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.931 -174.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -171.85 178.38 3.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.326 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.482 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 43.7 mt -105.18 143.26 16.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.64 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.3 mt -118.16 110.09 29.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.451 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 66.5 m -112.53 115.42 28.62 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.089 0.471 . . . . 0.0 112.246 -174.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.6 m -84.97 134.12 34.25 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 168.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.569 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 38.1 m-80 -115.32 111.36 20.76 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -171.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.517 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . 37.6 m -108.3 107.83 18.59 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.352 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -79.36 117.29 20.2 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 31.8 t -92.73 -96.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.958 -172.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -65.97 -50.81 63.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.488 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.52 ' H ' ' HB2' ' A' ' 87' ' ' TRP . 46.7 t-20 69.52 140.28 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 O-C-N 124.068 0.855 . . . . 0.0 109.403 -172.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.6 m -77.52 69.54 3.79 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.339 0.59 . . . . 0.0 109.748 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.3 p -61.84 115.79 4.31 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.339 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 119' ' ' GLU . 82.8 mt-30 -80.34 85.16 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 174.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 118' ' ' GLN . 45.1 mt-10 . . . . . 0 C--O 1.247 0.949 0 O-C-N 124.438 1.086 . . . . 0.0 110.077 -173.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.846 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 3' ' ' MET . . . 51.24 58.41 5.56 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 122.722 0.409 . . . . 0.0 111.342 179.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.487 ' HA ' HE22 ' A' ' 36' ' ' GLN . 50.2 ttm 172.74 106.92 0.01 OUTLIER 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.941 -175.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.35 -43.94 0.56 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.244 0.617 . . . . 0.0 111.699 -178.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.584 ' O ' HG12 ' A' ' 6' ' ' VAL . 48.3 m-20 56.34 65.09 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 122.846 0.459 . . . . 0.0 110.65 174.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 5' ' ' ASN . 0.3 OUTLIER 69.84 7.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.93 1.292 . . . . 0.0 111.306 -179.104 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.0 t 72.33 121.77 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.009 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.55 ' HB3' ' HG2' ' A' ' 28' ' ' ARG . 86.2 mm-40 -119.24 162.64 30.86 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.02 -175.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 32.5 Cg_exo -58.84 160.3 18.45 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 123.109 2.539 . . . . 0.0 112.308 171.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.444 ' HB ' ' HB3' ' A' ' 112' ' ' ASN . 5.6 p -88.64 28.76 1.08 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.041 0.448 . . . . 0.0 111.892 -178.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -137.22 134.32 36.11 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 172.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -136.53 147.5 47.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.074 0.464 . . . . 0.0 110.544 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.5 mt -107.22 130.13 59.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.3 m -136.15 149.89 48.82 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.109 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.583 ' HG2' HG12 ' A' ' 107' ' ' ILE . 99.3 mtt180 -110.48 130.71 55.5 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 176.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.518 ' HB3' ' HA ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -149.23 152.78 36.58 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.833 -172.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -76.56 157.0 32.38 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.499 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 32.2 pt -50.08 -30.24 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -165.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -81.21 2.6 27.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.335 0.588 . . . . 0.0 110.67 -177.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.91 5.4 50.56 Favored Glycine 0 N--CA 1.439 -1.13 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.821 175.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.9 mm -78.4 108.62 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 116.71 0.255 . . . . 0.0 110.896 -175.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.518 ' HA ' ' HB3' ' A' ' 16' ' ' HIS . 95.4 m-85 -71.48 122.96 21.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.814 0.34 . . . . 0.0 111.41 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 p -105.51 -27.51 11.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.723 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -140.0 117.84 11.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.236 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.706 HG21 ' HB3' ' A' ' 40' ' ' LEU . 94.7 t -124.14 135.45 63.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.701 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.419 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 13.1 t70 -81.76 149.45 28.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.53 0.681 . . . . 0.0 110.559 175.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.417 ' O ' HG22 ' A' ' 30' ' ' VAL . 18.8 m80 -58.79 -20.48 50.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.724 -1.125 . . . . 0.0 112.295 -173.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.55 ' HG2' ' HB3' ' A' ' 8' ' ' GLN . 91.1 mtt180 -66.31 -6.6 14.61 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.09 0.471 . . . . 0.0 111.18 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.446 ' SG ' HD22 ' A' ' 40' ' ' LEU . 44.8 t -60.24 -35.72 76.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.149 176.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.762 HG12 ' HA ' ' A' ' 36' ' ' GLN . 12.4 m -65.97 -33.29 62.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.547 -175.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.56 -51.4 9.35 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.901 0.381 . . . . 0.0 110.411 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 m -56.43 -55.76 29.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.839 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.0 m -133.86 20.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -168.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.0 -37.26 1.93 Allowed Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.36 -0.924 . . . . 0.0 114.416 174.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -70.55 137.16 49.88 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 121.421 0.629 . . . . 0.0 111.037 -173.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.762 ' HA ' HG12 ' A' ' 30' ' ' VAL . 50.2 mm-40 -75.99 154.24 84.78 Favored Pre-proline 0 C--N 1.31 -1.144 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 176.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.702 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 4.2 Cg_exo -44.37 -51.23 7.13 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 121.869 1.713 . . . . 0.0 110.978 175.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.446 ' CD ' ' H ' ' A' ' 38' ' ' GLN . 20.5 mp0 -59.77 -44.8 93.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.723 178.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -56.76 -33.87 67.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.762 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.706 ' HB3' HG21 ' A' ' 25' ' ' VAL . 13.9 tp -87.9 -25.62 23.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.735 -175.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 81.7 mt -59.45 117.77 5.24 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.465 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.74 -9.06 64.02 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.255 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -104.32 148.18 26.67 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.633 ' HB2' ' HG2' ' A' ' 47' ' ' GLU . 8.3 m120 -81.81 142.68 32.35 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.323 176.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.515 ' HB ' ' CE1' ' A' ' 22' ' ' PHE . 12.0 tt -62.47 -26.54 40.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.944 171.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.616 HG12 ' HB3' ' A' ' 44' ' ' ASN . 9.9 p -75.59 -23.8 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.659 178.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.633 ' HG2' ' HB2' ' A' ' 44' ' ' ASN . 62.6 mm-40 -71.5 -19.46 62.19 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.443 0.64 . . . . 0.0 110.179 178.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -120.61 33.93 5.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.553 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.4 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 48.9 t -108.81 143.76 37.55 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.496 176.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.644 ' NE2' ' HB2' ' A' ' 52' ' ' GLU . 49.5 t60 -49.14 117.71 6.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 167.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.422 ' HA ' ' CD ' ' A' ' 54' ' ' GLN . 86.6 Cg_exo -48.47 -32.96 21.91 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 124.126 3.217 . . . . 0.0 114.7 -171.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.644 ' HB2' ' NE2' ' A' ' 50' ' ' HIS . 32.5 mt-10 -81.98 -4.95 57.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.765 0.316 . . . . 0.0 111.261 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.45 ' CG ' ' HD2' ' A' ' 50' ' ' HIS . 84.4 m-20 -111.8 -1.23 15.66 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 176.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.422 ' CD ' ' HA ' ' A' ' 51' ' ' PRO . 66.8 mt-30 -68.65 -33.54 74.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.394 -178.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -72.17 -33.33 67.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.198 171.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.46 HD22 HG23 ' A' ' 74' ' ' VAL . 1.0 OUTLIER -59.58 -51.03 71.58 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.396 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.4 HD21 ' CD1' ' A' ' 76' ' ' PHE . 26.8 mt -60.23 -49.43 77.64 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.678 175.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.661 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 61.2 ttt180 -50.0 -56.65 9.86 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.702 0.626 . . . . 0.0 110.39 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.28 -49.02 79.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.504 -177.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.5 m -71.07 -27.83 63.91 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.321 -171.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.415 ' O ' HG23 ' A' ' 65' ' ' VAL . 4.9 m-30 -69.3 -33.5 73.27 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 175.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.661 ' HG3' ' O ' ' A' ' 58' ' ' ARG . 28.6 mt-30 -61.29 -44.29 97.47 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.425 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 2.9 mp0 -57.5 -45.45 84.91 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.518 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.438 HG11 ' HB3' ' A' ' 92' ' ' SER . 9.6 p -69.34 -29.66 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 119.901 -0.719 . . . . 0.0 111.215 -177.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.591 ' HA ' HG21 ' A' ' 94' ' ' THR . 89.3 t -74.21 -22.89 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.321 0.582 . . . . 0.0 110.121 176.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -91.9 -24.56 19.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.336 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.575 HD12 HD23 ' A' ' 72' ' ' LEU . 26.8 mt -77.77 -41.95 35.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.466 174.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.784 ' HG2' HD11 ' A' ' 103' ' ' ILE . 94.3 mttt 57.69 97.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.985 0.803 . . . . 0.0 113.048 174.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.56 2.97 72.18 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.186 176.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.498 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 26.1 mm-40 -110.91 142.02 43.55 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 92' ' ' SER . 7.2 p -77.59 124.1 35.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.33 0.586 . . . . 0.0 110.85 -178.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.575 HD23 HD12 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -114.24 113.76 25.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.48 -0.782 . . . . 0.0 108.978 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.432 ' HB3' ' HD2' ' A' ' 89' ' ' ARG . 47.4 m -94.16 121.16 35.37 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.593 -176.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.46 HG23 HD22 ' A' ' 56' ' ' LEU . 4.3 p -121.82 130.97 74.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.693 0.758 . . . . 0.0 110.247 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 21.1 ttt -115.25 126.08 54.1 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.377 -172.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.4 ' CD1' HD21 ' A' ' 57' ' ' LEU . 15.9 p90 -154.84 179.21 9.32 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.074 -172.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.594 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 44.1 mtt180 -98.83 109.9 22.59 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 177.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.459 ' O ' ' HA ' ' A' ' 85' ' ' TRP . 8.1 t80 -85.94 129.36 34.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.694 -176.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -84.14 97.91 9.61 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.062 0.458 . . . . 0.0 110.62 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.0 t -61.71 174.13 0.86 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.695 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 81' ' ' LYS . 45.2 tptt -61.62 -15.02 35.7 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.154 0.502 . . . . 0.0 111.131 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -95.83 2.81 53.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.695 -177.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 67.63 31.36 6.11 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.242 -175.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -101.09 132.26 46.62 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.896 176.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.459 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 17.4 m0 -108.11 81.56 1.51 Allowed 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.632 -0.427 . . . . 0.0 109.934 -171.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.594 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.0 OUTLIER -88.06 171.27 10.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.944 -173.078 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -84.48 106.43 16.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.463 0.649 . . . . 0.0 111.118 -176.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.56 ' HE1' ' HB3' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -126.9 138.03 53.24 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.292 -176.854 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.432 ' HD2' ' HB3' ' A' ' 73' ' ' SER . 43.5 ttp180 -111.02 119.0 37.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.001 0.429 . . . . 0.0 110.02 177.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.403 HG23 ' HB2' ' A' ' 108' ' ' CYS . 97.9 m -94.9 123.19 38.23 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.711 177.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.465 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 9.0 m -91.91 115.29 27.93 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 176.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.483 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 3.6 m -95.07 123.0 38.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.688 -173.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.528 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 53.3 t80 -121.86 134.56 54.88 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 171.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.591 HG21 ' HA ' ' A' ' 65' ' ' VAL . 1.0 OUTLIER -103.03 113.67 27.33 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.08 175.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.528 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 31.2 t80 -75.85 95.1 3.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.235 0.54 . . . . 0.0 111.175 -172.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 83.8 mt-30 -77.04 121.28 23.32 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.249 169.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.523 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 40.8 t-20 -54.05 117.17 12.0 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 175.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 97' ' ' ASN . 11.7 Cg_endo -56.42 -13.91 11.36 Favored 'Trans proline' 0 CA--C 1.528 0.194 0 C-N-CA 123.289 2.659 . . . . 0.0 113.656 -174.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -119.89 4.93 10.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.794 -0.184 . . . . 0.0 111.331 -177.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.523 ' HB2' ' HB3' ' A' ' 97' ' ' ASN . 35.1 m -139.44 -17.25 1.01 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -175.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 65.12 7.82 4.36 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.201 0.6 . . . . 0.0 112.597 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.619 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 11.7 pt-20 -87.43 157.62 19.17 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.784 HD11 ' HG2' ' A' ' 68' ' ' LYS . 51.8 mt -103.95 111.28 32.98 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.549 0 CA-C-O 121.441 0.639 . . . . 0.0 109.981 176.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.448 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 4.1 pt-20 -85.35 -37.64 19.67 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.122 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.425 ' CD2' ' HG3' ' A' ' 104' ' ' GLU . 22.5 p90 -167.19 177.58 6.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 63.1 mt -104.62 145.65 12.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.599 178.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.583 HG12 ' HG2' ' A' ' 15' ' ' ARG . 58.7 mt -115.27 113.25 42.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 174.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 91' ' ' SER . 22.3 p -109.66 126.18 53.39 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.372 0.606 . . . . 0.0 111.437 -174.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.432 ' HB ' ' HB2' ' A' ' 91' ' ' SER . 7.4 m -93.85 118.01 30.88 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 170.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.56 ' HB3' ' HE1' ' A' ' 88' ' ' MET . 17.5 m120 -109.11 110.52 21.78 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.196 -172.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.0 m -114.57 130.16 56.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.082 -175.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.444 ' HB3' ' HB ' ' A' ' 10' ' ' THR . 2.6 t-20 -87.06 111.53 20.99 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 33.3 t -81.19 -83.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.069 0.461 . . . . 0.0 109.927 -178.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -123.79 179.55 4.77 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.701 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -98.39 151.89 20.07 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.397 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.3 t -78.56 172.08 14.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.797 -174.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 38.1 t -66.28 85.19 0.1 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.079 175.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -78.87 62.52 3.36 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 177.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.201 -0.904 . . . . 0.0 109.773 -175.279 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.894 -0.482 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.475 ' HB3' ' HG2' ' A' ' 38' ' ' GLN . . . -159.19 -164.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.408 ' HB2' ' O ' ' A' ' 2' ' ' ALA . 74.7 mtp 74.9 7.76 4.24 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.875 0.734 . . . . 0.0 110.393 -176.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -92.94 -8.24 43.74 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 170.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.468 ' CB ' ' HB3' ' A' ' 27' ' ' HIS . 9.5 p-10 -92.35 141.96 27.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.66 -173.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.9 p -163.82 142.43 2.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.459 178.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.7 t 63.55 76.31 0.36 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.503 0.668 . . . . 0.0 110.633 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.781 ' HA ' HE21 ' A' ' 8' ' ' GLN . 0.0 OUTLIER -118.45 163.15 26.82 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.251 -177.499 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 31.8 Cg_exo -59.09 157.4 29.77 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.693 2.262 . . . . 0.0 111.744 169.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.3 p -89.15 31.7 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.375 0.607 . . . . 0.0 111.177 -179.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 110' ' ' ASN . 36.5 tt0 -140.2 134.29 30.93 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.667 ' HB3' ' HB2' ' A' ' 28' ' ' ARG . 32.2 p90 -139.35 141.54 37.64 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.303 0.573 . . . . 0.0 111.267 -178.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.6 mt -93.58 138.23 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.182 177.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 p -143.64 147.92 35.05 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.172 0.51 . . . . 0.0 111.76 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.473 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 7.7 mtp180 -110.48 121.31 45.0 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 175.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.569 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.4 OUTLIER -135.99 157.76 46.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.605 0.717 . . . . 0.0 112.625 -173.206 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.727 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 1.2 t-20 -69.04 148.31 50.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 113.804 -1.544 . . . . 0.0 109.761 176.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.5 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 35.7 pt -49.01 -29.71 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 O-C-N 124.519 1.137 . . . . 0.0 114.053 -170.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -81.91 -6.12 58.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.703 0.287 . . . . 0.0 111.471 -178.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.69 10.72 26.34 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.713 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.727 ' HB ' ' HB3' ' A' ' 17' ' ' ASN . 47.9 mm -81.11 123.08 37.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.999 0.399 . . . . 0.0 110.617 -174.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.614 ' CE2' ' HB ' ' A' ' 45' ' ' ILE . 63.3 m-85 -74.56 118.23 17.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.169 0.509 . . . . 0.0 111.469 -178.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.6 m -107.92 -31.56 7.94 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.12 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.473 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 89.5 t80 -145.74 125.89 13.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.123 176.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.58 137.56 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.758 0.313 . . . . 0.0 110.952 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.586 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 13.4 t70 -72.81 149.4 43.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.463 0.649 . . . . 0.0 111.338 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 5' ' ' ASN . 21.0 m80 -50.1 -25.33 3.38 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.438 -1.255 . . . . 0.0 113.012 -177.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.667 ' HB2' ' HB3' ' A' ' 12' ' ' PHE . 39.7 mtt180 -63.8 -12.46 35.87 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -175.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.5 t -56.1 -36.58 68.31 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.994 0.426 . . . . 0.0 111.688 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.814 HG12 ' HA ' ' A' ' 36' ' ' GLN . 5.2 m -64.96 -37.92 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 -175.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.2 -46.94 16.9 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.369 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.465 HG23 ' HB2' ' A' ' 112' ' ' ASN . 17.2 m -50.77 -50.19 56.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.498 177.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.634 HG11 ' CD1' ' A' ' 78' ' ' PHE . 18.4 m -132.27 -30.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -174.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.441 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 123.13 -26.11 6.2 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 119.827 -1.178 . . . . 0.0 113.362 -177.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.505 ' H ' HG23 ' A' ' 33' ' ' VAL . 24.3 m-85 -72.13 138.91 48.04 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.654 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.814 ' HA ' HG12 ' A' ' 30' ' ' VAL . 26.2 mm-40 -82.64 152.75 67.18 Favored Pre-proline 0 C--N 1.312 -1.037 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 174.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.708 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 80.1 Cg_exo -44.2 -50.53 7.63 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.004 1.802 . . . . 0.0 110.896 175.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.475 ' HG2' ' HB3' ' A' ' 2' ' ' ALA . 13.4 mm-40 -52.86 -50.76 63.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.605 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -62.73 -31.95 72.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.579 -174.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 tp -82.9 -27.73 30.46 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.383 -176.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 81.0 mt -59.36 111.78 1.5 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.641 178.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.88 -22.1 15.0 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.223 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 8.0 mmpt? -97.13 138.72 34.2 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.607 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 31.1 t-20 -75.92 140.11 41.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.917 175.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.614 ' HB ' ' CE2' ' A' ' 22' ' ' PHE . 14.7 tt -59.31 -26.94 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.635 175.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.407 HG12 ' CG ' ' A' ' 44' ' ' ASN . 2.5 p -77.78 -16.45 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.929 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.607 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 55.8 mm-40 -66.43 -42.9 87.02 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.363 0.601 . . . . 0.0 109.706 175.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.673 ' HB3' ' HB3' ' A' ' 79' ' ' ARG . 43.8 m-85 -100.29 23.54 9.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.962 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 47.4 t -97.09 134.88 39.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.381 173.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.771 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 15.7 t-80 -56.61 127.8 73.78 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.29 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -52.69 -19.32 10.34 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 123.925 3.083 . . . . 0.0 115.159 -171.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.52 ' HG2' ' ND1' ' A' ' 50' ' ' HIS . 11.8 pt-20 -92.88 -14.21 27.94 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.847 -0.533 . . . . 0.0 111.015 -177.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.704 ' OD1' ' HB3' ' A' ' 50' ' ' HIS . 0.6 OUTLIER -120.47 8.51 10.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.415 0.626 . . . . 0.0 110.145 -177.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -64.34 -32.4 73.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.818 173.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -63.22 -35.08 79.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.145 176.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.98 -48.31 79.39 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.345 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 57' ' ' LEU . 17.4 mt -61.37 -40.5 94.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.747 176.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -59.98 -60.21 4.2 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.526 0.203 . . . . 0.0 110.563 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.679 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 26.6 t70 -61.17 -46.08 91.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.607 -177.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 98.0 p -65.05 -44.08 90.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.131 0.491 . . . . 0.0 111.384 -172.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.542 ' O ' HG23 ' A' ' 65' ' ' VAL . 10.2 m-30 -61.42 -39.97 92.72 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.202 178.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.524 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 9.3 mm100 -65.71 -40.77 92.57 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.711 176.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.679 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 84.8 mm-40 -63.04 -46.56 86.97 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.449 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.588 HG11 ' OG ' ' A' ' 92' ' ' SER . 7.8 p -67.7 -25.19 32.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.808 0.337 . . . . 0.0 111.121 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.796 ' HA ' HG21 ' A' ' 94' ' ' THR . 74.8 t -69.74 -32.87 53.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.54 0.686 . . . . 0.0 109.344 173.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 54.5 mtpt -80.12 -33.6 38.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.285 175.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 63' ' ' GLN . 62.0 mt -86.03 30.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.704 -179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.87 ' HG2' HD11 ' A' ' 103' ' ' ILE . 96.7 mttt -28.06 108.71 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.56 -21.91 31.6 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.865 174.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -90.88 138.04 31.9 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.647 0.261 . . . . 0.0 110.42 -176.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.57 124.51 36.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.121 0.486 . . . . 0.0 110.259 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.411 HD13 HD12 ' A' ' 67' ' ' LEU . 12.9 tp -124.84 114.35 19.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.997 -176.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.496 ' HA ' ' HA ' ' A' ' 91' ' ' SER . 19.4 m -99.82 121.24 41.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.176 0.512 . . . . 0.0 111.08 -175.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.3 p -118.15 138.23 49.51 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.658 0 CA-C-O 121.861 0.838 . . . . 0.0 110.493 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 19.3 ttt -106.42 129.62 54.37 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.616 -175.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.472 ' CZ ' HD11 ' A' ' 45' ' ' ILE . 26.7 p90 -153.59 178.85 9.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.434 -176.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.771 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 17.4 mtt180 -105.83 110.42 22.71 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.64 0.257 . . . . 0.0 110.476 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CD1' HG11 ' A' ' 33' ' ' VAL . 3.3 t80 -84.89 136.74 33.51 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.742 ' HG2' ' HA ' ' A' ' 83' ' ' GLN . 36.8 ttt180 -83.17 106.72 15.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.234 0.54 . . . . 0.0 111.148 179.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.505 ' HA ' ' HB ' ' A' ' 33' ' ' VAL . 29.7 t -53.94 166.54 0.35 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.105 170.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.441 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 23.9 tptp -65.23 -10.53 32.59 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.359 0.599 . . . . 0.0 110.354 177.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -90.97 -1.43 57.82 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.742 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 27.8 mm-40 65.94 27.72 10.75 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 113.687 -1.597 . . . . 0.0 110.853 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.608 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 34.3 mm-40 -91.43 164.12 13.94 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.573 171.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.468 ' CG ' ' HD2' ' A' ' 50' ' ' HIS . 73.2 m95 -117.81 88.35 2.9 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.463 -173.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.489 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 1.2 pp -93.96 168.58 10.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.43 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -88.65 130.97 35.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.269 0.556 . . . . 0.0 110.876 -176.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.532 ' SD ' ' HB3' ' A' ' 110' ' ' ASN . 1.4 ttp -141.7 132.49 25.76 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.844 173.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -107.56 111.25 23.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.574 0.702 . . . . 0.0 109.392 174.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.8 m -96.58 130.35 43.78 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.948 -177.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.496 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 47.6 m -95.2 128.05 41.73 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.588 ' OG ' HG11 ' A' ' 64' ' ' VAL . 9.2 t -103.1 156.54 17.62 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.476 0.655 . . . . 0.0 110.686 -176.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 70.9 t80 -151.91 135.34 16.05 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.391 -1.277 . . . . 0.0 108.338 176.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.796 HG21 ' HA ' ' A' ' 65' ' ' VAL . 1.3 p -102.43 106.38 17.11 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 120.996 0.426 . . . . 0.0 110.321 177.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.485 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 18.1 t80 -69.86 111.86 5.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.133 -175.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.569 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 47.9 mt-30 -99.18 141.71 31.6 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.077 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -67.54 115.42 26.79 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 170.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.436 ' HG2' ' CE2' ' A' ' 99' ' ' TYR . 20.3 Cg_endo -62.17 -6.55 8.35 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 123.028 2.485 . . . . 0.0 113.456 -175.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.436 ' CE2' ' HG2' ' A' ' 98' ' ' PRO . 63.4 m-85 -124.12 4.22 8.59 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.547 0.202 . . . . 0.0 111.547 -177.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.8 t -144.64 -13.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.975 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 68.47 1.19 2.85 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.569 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 44.9 mt-10 -67.51 151.82 46.71 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.467 0.175 . . . . 0.0 110.629 179.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.87 HD11 ' HG2' ' A' ' 68' ' ' LYS . 61.5 mt -98.85 114.98 38.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.504 0.669 . . . . 0.0 109.992 173.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -69.65 -48.35 60.17 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.19 -1.368 . . . . 0.0 109.424 -177.854 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -172.94 173.38 3.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.249 -176.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.569 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 44.6 mt -97.95 140.2 18.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 59.8 mt -112.79 108.85 26.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.0 p -106.47 117.46 34.1 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.237 0.541 . . . . 0.0 111.303 -176.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.0 m -93.66 120.43 33.92 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 173.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.532 ' HB3' ' SD ' ' A' ' 88' ' ' MET . 35.4 m-80 -104.99 110.23 22.54 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -170.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 54.3 m -103.8 114.0 27.93 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.455 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.465 ' HB2' HG23 ' A' ' 32' ' ' THR . 3.0 t-20 -74.54 110.56 8.94 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -87.17 -112.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -178.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -89.95 167.1 13.07 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.282 0.563 . . . . 0.0 110.512 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.795 ' HB3' ' HB3' ' A' ' 119' ' ' GLU . 32.7 t-20 -118.07 145.7 44.64 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.463 -178.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.6 t -90.49 -35.19 15.24 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.971 -169.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.9 p -165.5 37.68 0.06 Allowed 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -173.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -172.24 43.05 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.309 0.576 . . . . 0.0 110.518 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.795 ' HB3' ' HB3' ' A' ' 115' ' ' ASN . 10.3 pt-20 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.602 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 112.026 -0.429 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.537 ' HB3' ' HB2' ' A' ' 37' ' ' PRO . . . -64.69 103.52 0.7 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.328 0.585 . . . . 0.0 111.279 179.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.664 ' HA ' ' HB3' ' A' ' 36' ' ' GLN . 53.6 ttm -157.85 137.46 12.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.775 -175.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.746 ' H ' HE21 ' A' ' 36' ' ' GLN . 87.6 m-20 67.37 80.39 0.21 Allowed 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.089 0.868 . . . . 0.0 110.455 -178.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.483 ' O ' HG21 ' A' ' 30' ' ' VAL . 17.0 m-80 -129.6 130.31 45.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.008 -174.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.528 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 24.3 t -137.08 89.3 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.392 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 6' ' ' VAL . 12.5 t 172.58 38.56 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.425 0.631 . . . . 0.0 109.393 173.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.652 ' HB3' ' HA ' ' A' ' 28' ' ' ARG . 82.3 mm-40 -121.06 148.39 48.85 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.641 -172.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.852 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 22.9 Cg_exo -66.16 164.64 27.05 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.246 2.63 . . . . 0.0 111.688 172.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.54 34.09 0.76 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.512 0.672 . . . . 0.0 111.376 -175.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 26.9 tt0 -142.82 134.18 26.2 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 173.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -128.04 143.16 51.07 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.955 -178.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.1 mt -97.22 126.91 49.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.258 174.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.7 p -136.3 145.44 45.52 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.428 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.536 ' HD2' ' CE1' ' A' ' 105' ' ' TYR . 72.7 mtm180 -119.96 129.75 54.46 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.656 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 1.7 p-80 -134.82 162.39 32.51 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.144 0.497 . . . . 0.0 111.722 -174.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.27 154.2 39.06 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.5 pt -49.43 -27.61 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -168.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -73.23 -15.57 61.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.992 0.425 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.6 14.57 19.37 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.244 -176.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.6 mm -91.53 117.32 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 -175.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.457 ' CD2' ' HG ' ' A' ' 40' ' ' LEU . 88.4 m-85 -67.07 135.33 53.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.006 0.431 . . . . 0.0 111.729 -176.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.2 t -122.87 -28.39 4.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.08 177.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -139.8 121.84 15.71 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.481 176.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.7 t -124.72 133.72 68.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.239 178.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -83.58 148.92 26.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.395 0.617 . . . . 0.0 110.998 176.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.539 ' O ' HG22 ' A' ' 30' ' ' VAL . 51.9 m80 -48.56 -27.05 2.51 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 114.749 -1.114 . . . . 0.0 113.808 -174.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.852 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 77.7 mtt85 -61.78 -11.27 11.61 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -176.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 27.8 t -62.43 -33.32 74.57 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.761 0.315 . . . . 0.0 111.494 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 27' ' ' HIS . 30.3 m -60.35 -43.27 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.972 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.426 ' N ' HG23 ' A' ' 30' ' ' VAL . . . -74.54 -49.7 20.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.784 -176.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.2 m -53.26 -47.54 69.02 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.613 HG11 ' CD2' ' A' ' 78' ' ' PHE . 15.8 m -135.81 -29.15 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -173.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.405 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 112.94 -0.61 25.7 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 119.558 -1.306 . . . . 0.0 113.237 -178.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.546 ' H ' HG23 ' A' ' 33' ' ' VAL . 17.9 m-85 -90.49 114.78 27.04 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.12 175.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.746 HE21 ' H ' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -68.06 144.55 97.09 Favored Pre-proline 0 C--N 1.31 -1.145 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 173.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.731 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 59.7 Cg_exo -41.6 -44.75 6.35 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.766 2.311 . . . . 0.0 113.528 -174.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 2' ' ' ALA . 27.8 mm-40 -59.94 -42.79 94.78 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.884 0.373 . . . . 0.0 111.067 178.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -73.24 -2.59 22.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.795 -172.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.457 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 15.1 tp -111.74 -25.48 9.47 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.894 0.378 . . . . 0.0 110.476 177.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.731 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 85.1 mt -62.24 130.5 45.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.563 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.34 -21.9 42.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.548 174.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -108.39 155.67 20.29 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.628 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 8.0 t-20 -81.77 147.01 29.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 -175.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.472 HG13 ' HE1' ' A' ' 78' ' ' PHE . 12.4 tt -59.68 -38.35 75.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.379 174.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.546 ' HA ' ' HB2' ' A' ' 49' ' ' CYS . 97.8 t -67.16 -23.2 30.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.059 -176.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.628 ' HG3' ' HB3' ' A' ' 44' ' ' ASN . 43.4 mt-10 -67.71 -32.16 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.268 0.556 . . . . 0.0 109.993 178.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -104.49 20.25 18.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.034 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.546 ' HB2' ' HA ' ' A' ' 46' ' ' VAL . 46.1 m -109.57 129.73 55.56 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.775 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.408 ' ND1' ' HD2' ' A' ' 51' ' ' PRO . 57.9 t60 -49.44 125.01 15.31 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.29 -177.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.408 ' HD2' ' ND1' ' A' ' 50' ' ' HIS . 85.4 Cg_exo -49.62 -24.28 9.24 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 124.174 3.249 . . . . 0.0 114.864 -174.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -85.93 -8.06 58.26 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 122.26 -0.275 . . . . 0.0 111.244 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -112.91 7.98 18.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.033 0.444 . . . . 0.0 110.374 -176.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.512 ' HG2' HG13 ' A' ' 46' ' ' VAL . 74.9 mt-30 -70.06 -31.3 68.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.914 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.29 -46.23 81.23 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.2 mt -51.64 -50.55 60.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.803 173.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.47 HD11 ' SG ' ' A' ' 49' ' ' CYS . 96.2 mt -61.01 -41.52 96.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.148 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 83.6 mtt180 -55.69 -60.5 3.36 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.175 0.512 . . . . 0.0 110.047 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.503 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 11.3 t70 -58.3 -46.32 86.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.918 -173.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 65.6 p -68.19 -50.32 55.02 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.378 0.608 . . . . 0.0 111.041 -175.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.581 ' O ' HG23 ' A' ' 65' ' ' VAL . 12.5 m-30 -65.2 -37.55 87.66 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.103 -176.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 58' ' ' ARG . 3.5 pt20 -77.08 -30.23 55.36 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.047 0.451 . . . . 0.0 110.463 -177.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 59' ' ' ASP . 93.7 mt-30 -78.95 -30.64 44.69 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.087 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' A' ' 92' ' ' SER . 9.9 p -72.87 -23.6 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.221 176.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.719 ' HA ' HG21 ' A' ' 94' ' ' THR . 79.8 t -69.81 -33.9 58.13 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 170.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -76.32 -32.42 58.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.455 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.63 HD12 HD13 ' A' ' 72' ' ' LEU . 47.0 mt -91.42 30.11 1.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.772 -178.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.613 ' HG2' HD11 ' A' ' 103' ' ' ILE . 99.4 mttt -31.26 115.45 0.14 Allowed 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -179.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.9 -16.37 55.99 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.162 -0.927 . . . . 0.0 112.351 176.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.462 ' HB2' ' HB3' ' A' ' 67' ' ' LEU . 45.8 mt-30 -99.73 137.55 38.04 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.544 ' HA ' ' O ' ' A' ' 92' ' ' SER . 41.5 t -83.96 128.04 39.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.003 178.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.63 HD13 HD12 ' A' ' 67' ' ' LEU . 10.6 tp -114.95 123.0 47.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.061 -177.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.9 t -96.04 122.23 38.64 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.881 0.372 . . . . 0.0 111.023 -174.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.6 p -132.4 136.8 55.64 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.596 0 CA-C-O 121.725 0.774 . . . . 0.0 110.378 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 23.8 ttt -110.93 129.91 55.74 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.578 -174.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.458 ' HE1' ' HG1' ' A' ' 90' ' ' THR . 32.4 p90 -154.08 178.92 9.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.725 -174.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 45.1 mtm180 -111.33 130.13 55.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.127 0.489 . . . . 0.0 111.2 178.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.613 ' CD2' HG11 ' A' ' 33' ' ' VAL . 10.5 t80 -105.86 146.61 29.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.594 -174.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -82.0 102.96 11.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.064 0.459 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.405 ' HB3' ' CG ' ' A' ' 84' ' ' GLU . 38.8 t -56.78 165.82 1.11 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.062 171.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.405 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 21.6 tptp -67.81 -9.05 41.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.702 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -98.96 6.94 46.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.765 178.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 68.57 19.5 8.64 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.319 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.85 ' HB2' HE22 ' A' ' 118' ' ' GLN . 11.7 pt-20 -95.93 155.15 16.87 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.441 ' O ' ' HD2' ' A' ' 77' ' ' ARG . 75.2 m95 -116.18 97.95 6.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.957 0.408 . . . . 0.0 110.542 -172.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.549 HD11 HG12 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -97.43 168.05 10.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.704 -175.038 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.435 ' HD1' ' H ' ' A' ' 116' ' ' SER . 58.3 m95 -89.63 123.65 33.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.864 -175.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 9.3 ptp -137.03 150.66 48.23 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.297 171.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 89' ' ' ARG . 39.2 ttm180 -118.36 114.31 22.74 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 176.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.458 ' HG1' ' HE1' ' A' ' 76' ' ' PHE . 36.4 m -94.86 134.75 37.15 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.678 -175.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.4 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 14.6 m -92.55 116.76 29.29 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.976 174.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.544 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 5.9 m -93.59 130.9 39.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.465 -174.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -135.53 135.42 40.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.587 173.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.719 HG21 ' HA ' ' A' ' 65' ' ' VAL . 2.4 p -104.96 113.17 26.6 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.458 176.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -75.2 126.16 30.44 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 -176.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -101.29 137.74 39.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.362 0.601 . . . . 0.0 112.112 -171.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.488 ' HB3' ' HG3' ' A' ' 102' ' ' GLU . 39.6 t-20 -72.45 108.65 4.57 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 114.787 -1.097 . . . . 0.0 108.19 167.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.421 ' HG2' ' CE1' ' A' ' 99' ' ' TYR . 25.1 Cg_endo -61.63 -4.45 4.5 Favored 'Trans proline' 0 N--CA 1.476 0.46 0 C-N-CA 123.301 2.667 . . . . 0.0 114.103 -171.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.421 ' CE1' ' HG2' ' A' ' 98' ' ' PRO . 66.4 m-85 -111.13 -14.01 13.94 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 122.308 -0.245 . . . . 0.0 111.452 -178.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.0 t -137.74 -2.36 1.94 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 120.545 -0.462 . . . . 0.0 112.131 -174.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 55.79 18.33 2.88 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.488 ' HG3' ' HB3' ' A' ' 97' ' ' ASN . 1.1 pp20? -92.04 159.25 15.8 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.687 HD12 ' HB ' ' A' ' 94' ' ' THR . 47.2 mm -97.81 115.63 38.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.734 0.302 . . . . 0.0 110.236 -173.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.426 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 5.9 pt-20 -74.08 -39.46 63.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.324 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.536 ' CE1' ' HD2' ' A' ' 15' ' ' ARG . 15.1 p90 -165.07 165.89 19.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.544 178.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.656 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 50.5 mt -104.8 141.53 20.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.442 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 62.0 mt -112.24 112.3 39.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.447 ' HG ' ' CE1' ' A' ' 16' ' ' HIS . 2.0 p -105.26 109.32 21.26 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.357 0.598 . . . . 0.0 110.959 -178.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.6 m -89.52 114.68 26.25 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 172.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -106.3 111.44 24.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.844 0.354 . . . . 0.0 110.233 -170.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.1 m -109.13 113.43 26.27 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.86 -176.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -82.45 131.64 35.22 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.414 ' HB ' ' H ' ' A' ' 114' ' ' LYS . 11.2 t -115.11 -89.63 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.492 -176.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.414 ' H ' ' HB ' ' A' ' 113' ' ' VAL . 56.7 mtpt -91.07 176.24 6.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.792 -179.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -124.1 33.43 5.29 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.325 0.583 . . . . 0.0 111.052 -173.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.435 ' H ' ' HD1' ' A' ' 87' ' ' TRP . 9.0 t 60.06 26.5 15.85 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.653 173.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.6 t 60.85 23.81 13.81 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.394 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.85 HE22 ' HB2' ' A' ' 84' ' ' GLU . 25.3 mt-30 -79.04 8.05 6.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.398 0.618 . . . . 0.0 110.556 177.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--O 1.248 0.996 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.69 175.144 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 111.794 -0.522 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 71.34 173.4 0.31 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.179 0.592 . . . . 0.0 110.989 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.3 mtm 59.75 -166.54 0.18 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.232 -175.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.4 t70 60.39 84.43 0.12 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.595 0.712 . . . . 0.0 111.104 175.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -114.41 155.59 26.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.941 -174.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.473 HG22 ' SG ' ' A' ' 7' ' ' CYS . 13.7 p -172.25 137.75 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 O-C-N 123.17 0.294 . . . . 0.0 110.874 178.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.473 ' SG ' HG22 ' A' ' 6' ' ' VAL . 63.7 m 62.17 58.69 1.76 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.148 0.499 . . . . 0.0 111.793 175.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.656 ' HG2' ' HB2' ' A' ' 31' ' ' ALA . 5.2 pm0 -119.01 141.67 30.65 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.812 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.82 ' HD2' ' HG2' ' A' ' 28' ' ' ARG . 23.7 Cg_exo -65.58 163.44 30.1 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.329 2.686 . . . . 0.0 111.974 175.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.5 m -83.9 10.6 9.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.606 0.717 . . . . 0.0 111.207 -174.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.651 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 8.5 pt-20 -126.42 134.36 51.02 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 173.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.437 ' CB ' ' HB2' ' A' ' 28' ' ' ARG . 37.9 p90 -119.88 143.05 48.14 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.296 -177.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.3 mt -93.55 115.06 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.067 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.4 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . 47.9 t -108.11 132.32 53.71 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.744 -174.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.479 ' HB2' ' HB3' ' A' ' 24' ' ' PHE . 7.6 mpt_? -105.41 113.77 27.55 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 173.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.406 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -140.51 151.49 44.83 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.059 -174.007 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -77.02 158.9 30.29 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.517 ' HA ' ' CD1' ' A' ' 106' ' ' ILE . 35.3 pt -49.99 -28.4 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -167.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.578 ' HB2' HG12 ' A' ' 21' ' ' ILE . 39.1 mt-10 -70.01 -13.54 62.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.83 0.348 . . . . 0.0 111.046 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.99 7.8 46.36 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -174.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.578 HG12 ' HB2' ' A' ' 19' ' ' GLU . 29.1 mm -86.55 124.23 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 -173.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CD2' ' HG ' ' A' ' 40' ' ' LEU . 90.8 m-85 -72.17 127.57 32.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.821 0.344 . . . . 0.0 111.484 -176.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 p -112.05 -35.2 5.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.041 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.479 ' HB3' ' HB2' ' A' ' 15' ' ' ARG . 70.8 t80 -144.67 121.84 11.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 0.0 110.113 177.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.426 ' HB ' ' HA ' ' A' ' 37' ' ' PRO . 90.4 t -122.23 137.73 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.939 0.4 . . . . 0.0 110.989 -177.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.606 ' OD1' ' HG3' ' A' ' 28' ' ' ARG . 11.6 t70 -81.42 149.23 28.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.75 176.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.5 ' O ' HG22 ' A' ' 30' ' ' VAL . 28.9 m170 -52.58 -20.71 3.19 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.82 ' HG2' ' HD2' ' A' ' 9' ' ' PRO . 90.5 mtt180 -57.47 -18.13 16.86 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.1 t -54.6 -35.01 62.91 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -176.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 27' ' ' HIS . 19.7 m -68.13 -31.39 51.53 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-O 120.888 0.375 . . . . 0.0 111.076 -178.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.656 ' HB2' ' HG2' ' A' ' 8' ' ' GLN . . . -72.9 -51.91 16.76 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.672 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.523 HG22 HG13 ' A' ' 33' ' ' VAL . 9.2 m -62.11 -56.07 22.55 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.586 HG11 ' CD1' ' A' ' 78' ' ' PHE . 16.6 m -136.78 22.91 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -170.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' HA3' ' HB2' ' A' ' 81' ' ' LYS . . . 75.35 -26.58 1.27 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 114.863 0.705 . . . . 0.0 114.863 172.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -70.91 146.04 49.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 117.58 0.69 . . . . 0.0 111.37 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.48 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -89.53 150.43 44.36 Favored Pre-proline 0 C--N 1.316 -0.869 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 172.464 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.757 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 84.9 Cg_exo -44.58 -51.2 7.4 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.347 2.032 . . . . 0.0 112.202 -178.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -54.94 -46.77 75.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.495 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.48 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 7.1 mm-40 -66.59 -22.38 66.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.782 -172.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.594 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 14.5 tp -90.45 -31.88 16.63 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.244 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.757 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 74.4 mt -60.41 120.39 9.8 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.94 -18.89 23.72 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.685 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.751 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -99.62 155.29 17.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.901 0.381 . . . . 0.0 110.62 178.746 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -90.69 144.06 26.11 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 170.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.49 HD11 ' HZ ' ' A' ' 76' ' ' PHE . 13.2 tt -57.89 -30.17 37.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.045 0.45 . . . . 0.0 110.031 175.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.488 HG13 ' HG2' ' A' ' 54' ' ' GLN . 95.4 t -61.66 -32.86 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.356 175.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.8 -35.29 80.13 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.09 0.472 . . . . 0.0 111.165 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -105.37 17.04 24.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.113 178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 53' ' ' ASP . 38.9 t -94.44 132.83 38.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.782 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.465 ' HB3' ' OD2' ' A' ' 53' ' ' ASP . 60.5 t60 -45.01 126.18 5.37 Favored Pre-proline 0 CA--C 1.53 0.184 0 O-C-N 123.879 0.737 . . . . 0.0 110.189 174.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.405 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 86.2 Cg_exo -49.36 -25.44 10.15 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 124.001 3.134 . . . . 0.0 114.929 -170.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -84.98 -10.35 57.12 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.48 -178.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.465 ' OD2' ' HB3' ' A' ' 50' ' ' HIS . 38.3 m-20 -109.0 -5.04 16.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.732 0.301 . . . . 0.0 110.333 -172.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.488 ' HG2' HG13 ' A' ' 46' ' ' VAL . 75.9 mt-30 -59.46 -38.78 81.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.985 0.422 . . . . 0.0 111.799 -176.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -38.43 78.85 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.4 tt -61.89 -43.24 99.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.513 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.76 -41.67 95.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.895 176.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.512 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 69.6 mtt85 -58.26 -50.79 72.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.916 0.388 . . . . 0.0 110.278 178.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.68 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 29.5 t70 -63.59 -39.45 94.42 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.179 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.0 p -65.06 -43.83 91.0 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.511 0.672 . . . . 0.0 110.239 -175.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 65' ' ' VAL . 11.6 m-85 -68.27 -40.48 81.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.658 -179.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.554 ' HG2' ' HA ' ' A' ' 59' ' ' ASP . 7.5 pt20 -73.94 -29.26 61.92 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.681 -177.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.68 ' HG2' ' O ' ' A' ' 59' ' ' ASP . 76.3 mm-40 -63.72 -44.81 92.47 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.831 176.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 61' ' ' PHE . 9.4 p -69.68 -24.25 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.662 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 61' ' ' PHE . 81.3 t -71.09 -32.09 46.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.452 0.644 . . . . 0.0 109.688 173.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -74.02 -38.54 64.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.228 174.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.524 ' HB3' ' HB3' ' A' ' 70' ' ' GLN . 93.1 mt -71.47 -55.63 7.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.47 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.519 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 98.4 mttt 58.6 98.39 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.613 0.72 . . . . 0.0 112.247 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.45 -20.4 37.36 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.37 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.695 ' HA ' HE21 ' A' ' 70' ' ' GLN . 0.0 OUTLIER -90.32 133.55 34.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 92' ' ' SER . 44.5 t -76.52 117.79 21.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.038 0.446 . . . . 0.0 109.95 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.489 HD23 ' CD1' ' A' ' 67' ' ' LEU . 1.1 tm? -106.0 115.52 30.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.491 -175.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.3 p -89.42 122.25 32.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.795 0.331 . . . . 0.0 110.753 -178.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 p -118.74 130.27 73.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.274 0.559 . . . . 0.0 110.478 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 3.9 ttt -109.03 124.42 50.71 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.984 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.49 ' HZ ' HD11 ' A' ' 45' ' ' ILE . 15.4 p90 -160.07 179.0 9.12 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.078 -174.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.601 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 37.1 mtt180 -106.8 126.28 52.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.972 0.415 . . . . 0.0 111.272 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.586 ' CD1' HG11 ' A' ' 33' ' ' VAL . 4.4 t80 -103.95 144.05 32.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.371 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.588 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 4.3 ttm180 -81.43 107.18 13.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.026 0.441 . . . . 0.0 111.41 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.475 ' HB3' ' HB2' ' A' ' 84' ' ' GLU . 28.4 t -59.5 163.26 4.24 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.295 169.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.4 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 26.5 tptp -68.09 -10.78 56.62 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.424 176.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -94.5 6.79 47.73 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 177.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 64.02 34.03 11.72 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.576 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.588 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 16.0 mm-40 -90.01 173.65 8.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.122 -0.944 . . . . 0.0 109.02 170.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.456 ' HB3' ' HB3' ' A' ' 77' ' ' ARG . 73.0 m95 -139.78 87.25 2.15 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.601 ' O ' ' HA ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -97.27 160.24 14.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.296 0.569 . . . . 0.0 112.267 -171.785 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -78.97 122.2 25.87 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.874 -178.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 10.0 ptp -133.94 143.8 48.42 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.877 175.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.8 110.15 21.98 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.031 173.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' A' ' 109' ' ' THR . 69.2 m -94.79 130.65 41.25 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.86 178.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.606 ' O ' ' HA ' ' A' ' 108' ' ' CYS . 12.7 p -93.55 126.44 38.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.733 176.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 4.6 m -103.36 128.89 50.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.825 0.345 . . . . 0.0 111.327 -176.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.42 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 35.0 t80 -133.89 135.4 43.62 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.327 172.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.704 ' HB ' HD12 ' A' ' 103' ' ' ILE . 30.3 p -94.15 108.74 20.57 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.488 177.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.42 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 3.1 t80 -77.97 98.83 5.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.165 0.507 . . . . 0.0 109.782 -177.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.734 ' HG2' HD13 ' A' ' 103' ' ' ILE . 52.5 mt-30 -90.97 132.44 35.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.538 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.439 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 25.0 t-20 -70.54 124.78 91.48 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.435 ' HG2' ' CD2' ' A' ' 99' ' ' TYR . 31.1 Cg_endo -64.01 -10.61 23.68 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 123.037 2.492 . . . . 0.0 113.497 -172.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.435 ' CD2' ' HG2' ' A' ' 98' ' ' PRO . 88.3 m-85 -119.63 -5.71 10.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.563 0.221 . . . . 0.0 111.453 -177.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.439 ' HB2' ' HB3' ' A' ' 97' ' ' ASN . 17.3 m -123.33 -18.7 6.17 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.341 -177.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 68.82 -10.94 0.46 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.572 0.749 . . . . 0.0 112.776 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -83.94 165.31 18.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.836 0.35 . . . . 0.0 110.744 -177.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.734 HD13 ' HG2' ' A' ' 96' ' ' GLN . 11.6 mm -91.42 105.23 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.86 -35.09 79.24 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.066 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.458 ' HE1' HD11 ' A' ' 107' ' ' ILE . 6.9 p90 -173.74 169.62 4.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.842 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.517 ' CD1' ' HA ' ' A' ' 18' ' ' ILE . 53.3 mt -98.57 143.79 12.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.278 177.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.458 HD11 ' HE1' ' A' ' 105' ' ' TYR . 34.0 mm -110.1 115.77 50.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.606 ' HA ' ' O ' ' A' ' 91' ' ' SER . 67.8 m -129.04 127.16 40.99 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.026 0.441 . . . . 0.0 111.595 -175.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.522 ' O ' ' HA ' ' A' ' 90' ' ' THR . 24.5 m -99.01 125.72 44.55 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 172.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -105.21 110.77 23.26 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -175.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.3 m -109.3 110.03 21.09 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.169 -173.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -81.09 114.02 19.66 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.3 t -87.99 -99.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.449 -174.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.12 176.37 10.54 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.477 0.179 . . . . 0.0 111.382 177.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 67.23 140.29 0.03 OUTLIER 'General case' 0 C--O 1.235 0.335 0 O-C-N 124.292 0.995 . . . . 0.0 110.981 -177.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.589 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 50.1 m 67.8 11.45 8.38 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.3 m -102.83 119.59 39.11 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.291 178.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.496 ' HB2' ' HG3' ' A' ' 84' ' ' GLU . 7.3 tp-100 -88.65 0.41 56.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.814 0.34 . . . . 0.0 110.993 -174.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.605 -0.712 . . . . 0.0 110.175 -179.784 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.551 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.423 ' HB3' ' NE2' ' A' ' 38' ' ' GLN . . . -155.88 -63.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.046 -0.091 . . . . 0.0 110.795 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 54.1 mtm 56.21 -101.4 0.13 Allowed 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.244 0.34 . . . . 0.0 110.263 -175.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.2 t70 47.29 69.04 0.55 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 124.002 0.814 . . . . 0.0 111.673 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -154.47 147.07 24.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.72 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -136.31 -39.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.225 0.536 . . . . 0.0 112.147 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.3 t -145.9 105.77 4.0 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.892 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.5 ' HB3' ' HA ' ' A' ' 28' ' ' ARG . 85.3 mm-40 -120.32 154.57 56.37 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.791 -178.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HG2' ' NH1' ' A' ' 28' ' ' ARG . 37.8 Cg_exo -59.56 153.59 54.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.617 2.211 . . . . 0.0 111.222 170.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.43 16.2 3.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.13 0.491 . . . . 0.0 111.783 -171.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -125.02 134.64 52.49 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 173.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -129.07 144.31 51.15 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.719 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.588 HG12 HG23 ' A' ' 109' ' ' THR . 62.4 mt -100.35 126.6 53.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.207 176.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.6 p -132.54 146.69 52.11 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.192 0.52 . . . . 0.0 110.81 -177.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.557 ' HG2' HG12 ' A' ' 107' ' ' ILE . 55.3 mtm180 -119.7 132.07 55.56 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.434 ' CD2' ' HB ' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -141.45 149.44 40.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.373 -170.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -71.7 158.4 36.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.395 -178.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.8 pt -50.47 -26.66 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 -167.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -75.57 -10.61 59.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.873 0.368 . . . . 0.0 111.385 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.9 8.46 36.69 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 116.02 -0.537 . . . . 0.0 112.034 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.6 mm -84.81 117.05 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 120.374 0.131 . . . . 0.0 111.215 -172.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.503 ' CE2' ' HB ' ' A' ' 45' ' ' ILE . 96.0 m-85 -68.61 128.31 36.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.9 0.381 . . . . 0.0 111.319 -177.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 t -117.71 -25.86 6.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.588 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -142.07 123.94 15.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.345 177.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.427 ' CG1' ' HB2' ' A' ' 29' ' ' CYS . 92.7 t -136.12 137.27 48.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 120.696 0.284 . . . . 0.0 110.968 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -82.76 149.37 27.28 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 174.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.605 ' HA ' ' CG ' ' A' ' 37' ' ' PRO . 47.2 m80 -56.47 -14.98 3.46 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.969 0.908 . . . . 0.0 113.209 -171.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.5 ' HA ' ' HB3' ' A' ' 8' ' ' GLN . 36.4 mtt-85 -64.96 -12.96 55.71 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.893 0.377 . . . . 0.0 110.593 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.427 ' HB2' ' CG1' ' A' ' 25' ' ' VAL . 42.2 t -50.97 -38.67 52.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.316 176.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.582 HG12 ' HA ' ' A' ' 36' ' ' GLN . 3.9 m -65.08 -34.11 68.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.721 -176.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.23 -51.24 9.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.744 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 m -58.6 -54.28 48.88 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 177.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.682 ' O ' ' HA ' ' A' ' 80' ' ' SER . 9.7 m -121.08 -15.4 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -169.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.32 -35.97 4.59 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 119.213 -1.47 . . . . 0.0 113.101 177.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.544 ' H ' HG23 ' A' ' 33' ' ' VAL . 23.7 m-85 -71.02 143.75 50.66 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.939 0.399 . . . . 0.0 109.937 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.582 ' HA ' HG12 ' A' ' 30' ' ' VAL . 32.9 mm-40 -74.68 147.15 84.2 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 175.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.648 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 76.2 Cg_exo -48.6 -51.29 10.59 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 121.745 1.63 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.423 ' NE2' ' HB3' ' A' ' 2' ' ' ALA . 28.1 mp0 -53.48 -46.6 70.05 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.209 -1.36 . . . . 0.0 112.194 175.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.501 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 24.1 mm-40 -61.51 -30.75 70.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.987 0.423 . . . . 0.0 110.788 -177.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 tp -83.45 -28.73 28.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.706 -177.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 37' ' ' PRO . 79.4 mt -58.5 119.8 7.67 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.675 -179.001 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.84 -12.5 56.28 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.037 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.788 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -102.82 157.67 16.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.867 0.365 . . . . 0.0 110.468 178.407 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.6 ' HB3' ' HG2' ' A' ' 47' ' ' GLU . 13.1 t-20 -92.19 144.86 24.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.626 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.503 ' HB ' ' CE2' ' A' ' 22' ' ' PHE . 14.2 tt -62.96 -25.84 39.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.479 176.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.5 p -74.46 -23.12 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.747 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.6 ' HG2' ' HB3' ' A' ' 44' ' ' ASN . 59.9 mm-40 -63.59 -36.31 83.37 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.411 0.625 . . . . 0.0 109.915 177.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -111.04 18.23 19.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.363 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 39.3 t -89.04 138.09 31.73 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.682 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.583 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 55.7 t60 -48.81 123.6 11.99 Favored Pre-proline 0 C--N 1.334 -0.1 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.799 172.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -49.62 -27.25 14.34 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 124.134 3.223 . . . . 0.0 114.467 -172.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -88.48 -6.45 57.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -114.23 -1.36 13.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.333 . . . . 0.0 110.113 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -65.94 -39.05 90.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.481 -175.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.523 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 22.9 tm0? -73.03 -33.74 65.9 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.08 -41.72 93.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.103 176.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 57' ' ' LEU . 24.8 mt -64.06 -40.27 95.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.819 175.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.523 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 41.8 mtt180 -51.11 -61.41 2.24 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.341 0.591 . . . . 0.0 110.489 175.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.517 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 40.5 t0 -58.28 -41.09 83.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.392 -1.277 . . . . 0.0 111.131 -174.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m -75.79 -37.2 59.42 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.546 -175.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.56 ' O ' HG12 ' A' ' 64' ' ' VAL . 11.1 m-30 -72.26 -36.47 69.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.921 0.391 . . . . 0.0 110.472 -178.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 13.3 pt20 -71.04 -27.99 64.05 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.052 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 59' ' ' ASP . 73.9 mt-30 -71.01 -33.54 70.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.9 177.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 61' ' ' PHE . 7.3 p -73.91 -25.43 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.002 176.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.579 ' HA ' HG21 ' A' ' 94' ' ' THR . 67.4 t -71.95 -28.05 29.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.392 0.615 . . . . 0.0 109.382 171.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 28.3 mtpp -78.08 -38.24 44.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.988 176.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.561 ' HB3' ' HB3' ' A' ' 70' ' ' GLN . 58.6 mt -73.05 -53.03 12.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.457 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.573 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 93.7 mttt 60.39 90.06 0.06 Allowed 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.803 0.689 . . . . 0.0 112.188 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 111.13 -22.02 21.45 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.044 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.561 ' HB3' ' HB3' ' A' ' 67' ' ' LEU . 8.1 tp-100 -94.14 140.9 29.17 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 92' ' ' SER . 7.3 p -77.23 124.55 35.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.32 0.581 . . . . 0.0 110.894 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -109.67 118.94 37.89 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 p -95.74 120.88 36.78 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.083 0.468 . . . . 0.0 110.789 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.431 HG21 HD23 ' A' ' 57' ' ' LEU . 6.3 p -124.21 131.64 72.55 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.643 0 CA-C-O 121.749 0.785 . . . . 0.0 110.529 178.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 10.0 ttt -107.91 120.72 43.07 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.78 -176.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CZ ' HD11 ' A' ' 45' ' ' ILE . 11.1 p90 -148.66 178.46 8.62 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -175.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.583 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 62.9 mtt180 -111.72 120.85 43.4 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.589 177.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.667 ' HB2' ' SD ' ' A' ' 88' ' ' MET . 3.3 t80 -86.17 148.54 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.7 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 33.8 ttp180 -84.77 109.33 17.99 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.558 177.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.682 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 31.4 t -57.09 166.13 1.15 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.771 174.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -65.3 -8.36 17.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.797 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -103.18 5.97 38.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.551 ' HA ' ' HG2' ' A' ' 79' ' ' ARG . 1.9 mp0 70.19 52.33 0.37 Allowed 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 122.69 1.233 . . . . 0.0 108.504 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.7 ' O ' ' HA ' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -121.5 161.69 21.84 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 112.707 -2.042 . . . . 0.0 109.346 -171.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.401 ' CZ3' ' HA ' ' A' ' 50' ' ' HIS . 57.8 m95 -122.71 92.1 3.64 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.468 0.651 . . . . 0.0 111.23 -173.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.641 HD23 ' NE2' ' A' ' 118' ' ' GLN . 0.3 OUTLIER -102.77 159.27 15.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.495 -176.67 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -85.22 130.38 34.62 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -174.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.667 ' SD ' ' HB2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -145.38 140.26 27.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.253 168.351 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -100.92 118.72 37.5 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 171.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.488 ' OG1' ' HE1' ' A' ' 76' ' ' PHE . 84.8 m -96.4 132.01 42.36 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.888 -178.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.4 m -90.25 115.08 27.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.436 174.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.452 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 2.7 m -95.76 131.42 42.07 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.551 -176.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.481 ' CE2' ' HA ' ' A' ' 95' ' ' PHE . 58.7 t80 -137.81 134.46 35.2 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.579 HG21 ' HA ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -95.62 112.23 24.0 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.065 0.46 . . . . 0.0 110.086 177.067 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.481 ' HA ' ' CE2' ' A' ' 93' ' ' PHE . 0.8 OUTLIER -79.88 95.03 5.95 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.297 0.57 . . . . 0.0 111.005 -171.787 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.519 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 23.6 mt-30 -89.38 124.17 34.2 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.215 171.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -49.92 121.59 13.0 Favored Pre-proline 0 C--N 1.327 -0.386 0 O-C-N 123.992 0.808 . . . . 0.0 109.567 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -57.96 -19.04 38.11 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 123.16 2.573 . . . . 0.0 113.252 -175.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -122.15 19.51 10.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.813 0.34 . . . . 0.0 111.419 -175.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.2 m -148.79 -15.63 0.31 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 56.87 25.76 10.84 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.754 0.822 . . . . 0.0 113.112 176.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.519 ' O ' ' HA ' ' A' ' 96' ' ' GLN . 11.4 pt-20 -110.61 158.5 18.5 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 54.5 mt -93.59 124.69 46.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.033 0.444 . . . . 0.0 110.614 -176.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.466 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 6.0 pt-20 -88.03 -39.07 14.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.218 176.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -173.85 -172.32 0.73 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.857 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.434 ' HB ' ' CD2' ' A' ' 16' ' ' HIS . 36.1 mt -107.59 148.74 11.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.677 178.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.557 HG12 ' HG2' ' A' ' 15' ' ' ARG . 57.8 mt -113.82 133.04 61.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.411 ' HB2' ' CG2' ' A' ' 90' ' ' THR . 6.1 p -137.38 119.6 15.64 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.389 0.614 . . . . 0.0 111.888 -177.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.588 HG23 HG12 ' A' ' 13' ' ' ILE . 6.8 m -94.64 136.23 35.19 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 171.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -121.91 110.54 15.98 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.219 -171.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 32.5 m -105.64 123.0 47.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.615 -176.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -76.92 121.02 22.85 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.405 ' HB ' ' H ' ' A' ' 114' ' ' LYS . 5.5 t -86.49 -112.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.405 ' H ' ' HB ' ' A' ' 113' ' ' VAL . 38.4 mtpt -138.04 173.06 12.03 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.27 -0.269 . . . . 0.0 111.519 -175.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 63.09 102.81 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 160.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.438 ' HB3' ' HA ' ' A' ' 86' ' ' LEU . 83.9 p -163.29 -71.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.173 166.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.0 t -168.03 27.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.432 0.634 . . . . 0.0 109.582 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.641 ' NE2' HD23 ' A' ' 86' ' ' LEU . 66.0 mm-40 -80.22 -31.14 38.62 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.104 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 . . . . . 0 C--O 1.248 1.007 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.826 178.149 . . . . . . . . 0 0 . 1 stop_ save_