data_2l6m_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 2l6m _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 ' 5' ' ' ILE . . . . . 0.572 HG23 ' HA ' ' A' ' 75' ' ' LYS . 5.0 tp . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.398 0.142 . . . . 73.24 110.769 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.435 ' OE2' HG22 ' A' ' 5' ' ' ILE . 1.9 mp0 -59.52 -45.71 90.97 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 110.06 -0.348 . . . . 75.22 110.06 -176.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.583 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 27.3 m170 -61.12 -41.23 96.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.057 -0.519 . . . . 75.4 110.498 178.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.401 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 30.7 mmtt -61.59 -50.02 74.28 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 109.652 -0.499 . . . . 75.34 109.652 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.754 HG12 ' CZ ' ' A' ' 52' ' ' PHE . 58.0 t -52.29 -48.44 44.12 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 CA-C-N 115.733 -0.667 . . . . 65.35 110.68 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.598 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 13.4 m-30 -63.1 -48.24 79.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.024 -0.534 . . . . 71.41 109.734 -178.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 14.1 mm100 -48.31 -45.81 35.52 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.917 0.71 . . . . 72.41 112.917 -173.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.49 HD11 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -92.5 -44.08 8.83 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.701 -0.4 . . . . 64.11 111.735 -177.311 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.542 HD22 ' NH2' ' A' ' 54' ' ' ARG . 16.0 mt -62.36 -46.09 90.22 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.783 0.66 . . . . 75.44 112.783 -175.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.648 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 20.3 pttp -65.31 -22.65 66.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.284 0.564 . . . . 70.23 109.839 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.58 -17.65 28.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.527 -0.761 . . . . 73.42 111.119 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 16.7 mt-30 -80.65 -9.7 59.77 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 121.551 0.691 . . . . 64.45 109.473 173.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.658 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 94.83 35.79 5.74 Favored Glycine 0 N--CA 1.435 -1.404 0 CA-C-N 115.124 -0.944 . . . . 61.21 111.315 -175.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.648 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 4.9 t -119.74 140.6 50.45 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.541 -0.464 . . . . 73.11 110.895 174.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.437 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -127.64 -6.32 5.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.114 0.483 . . . . 53.42 110.701 170.852 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -94.39 83.9 4.26 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.92 -0.582 . . . . 72.04 111.087 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.65 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 14.3 p90 -167.56 160.32 12.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.138 -0.937 . . . . 74.21 110.703 176.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.56 170.3 32.19 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.605 -0.598 . . . . 42.41 111.605 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.4 HG23 ' HE1' ' A' ' 74' ' ' MET . 42.7 p -93.47 147.53 22.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.323 0.562 . . . . 72.21 111.358 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.479 ' HG3' ' HB2' ' A' ' 51' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.616 0 N-CA-C 108.876 -0.787 . . . . 74.31 108.876 173.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 . . . . . 0 N--CA 1.448 -0.528 0 CA-C-O 120.865 0.364 . . . . 70.24 110.487 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.475 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 5.6 m-30 -81.06 107.25 13.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.017 -0.538 . . . . 74.51 110.034 178.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.74 77.1 2.15 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.762 -0.535 . . . . 71.41 111.762 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.405 ' C ' ' HG ' ' A' ' 51' ' ' SER . 6.7 m-85 -73.05 132.71 43.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.84 0.352 . . . . 74.12 110.098 176.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.479 ' HB2' ' HG3' ' A' ' 24' ' ' LYS . 9.0 m -149.46 153.81 37.85 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.502 -0.317 . . . . 74.2 110.332 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.754 ' CZ ' HG12 ' A' ' 9' ' ' VAL . 37.1 t80 -110.33 124.75 52.26 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.908 -0.405 . . . . 73.22 109.908 174.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.463 ' CE1' ' HG2' ' A' ' 24' ' ' LYS . 3.5 m-85 -99.21 138.24 36.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.279 -0.873 . . . . 73.25 111.035 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.65 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -146.31 102.44 3.6 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.401 -0.963 . . . . 71.11 108.401 176.719 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 63.76 36.04 10.85 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.095 -0.502 . . . . 71.42 111.742 -173.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.28 -3.23 67.54 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.693 -0.765 . . . . 63.41 112.868 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -93.33 169.87 10.05 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.847 -0.427 . . . . 74.41 109.847 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.4 mm -108.07 111.9 37.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 115.556 -0.747 . . . . 72.24 110.162 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.532 HG13 HD13 ' A' ' 89' ' ' LEU . 93.7 t -91.68 -37.51 9.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 114.932 -1.031 . . . . 75.35 109.927 177.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.62 142.92 47.04 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.75 -0.659 . . . . 70.24 110.763 -178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -142.47 133.17 25.39 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.645 -0.502 . . . . 73.21 109.645 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.88 95.23 0.14 Allowed Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 111.713 -0.555 . . . . 71.51 111.713 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 33.5 ttpt -97.6 125.56 42.4 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 120.952 0.406 . . . . 62.13 110.833 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.0 m -151.57 160.57 43.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.151 -0.477 . . . . 72.21 110.476 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -74.59 -26.6 60.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.563 0.697 . . . . 73.31 109.209 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -96.75 124.27 40.68 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.787 -1.097 . . . . 74.5 109.564 177.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.402 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 11.6 p -55.51 -40.4 58.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.856 0.36 . . . . 70.22 110.893 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.69 94.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 73.13 111.644 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.43 ' C ' HD21 ' A' ' 69' ' ' ASN . 0.2 OUTLIER -68.51 -42.69 78.19 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.638 -0.504 . . . . 73.22 109.638 -178.525 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.73 -48.9 78.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.782 -0.644 . . . . 74.14 110.915 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 67' ' ' VAL . 52.4 mtmt -60.68 -43.03 98.22 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.972 -0.558 . . . . 73.14 110.57 176.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -54.42 -48.42 71.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.608 -0.724 . . . . 73.35 111.531 -176.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.5 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 41.1 mt -60.47 -53.06 54.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.669 -0.696 . . . . 64.34 111.323 -176.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.3 ptt? -62.59 -39.5 93.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.391 -0.368 . . . . 72.24 110.542 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.572 ' HA ' HG23 ' A' ' 5' ' ' ILE . 54.6 mttm -56.79 -47.27 80.57 Favored 'General case' 0 C--O 1.227 -0.131 0 CA-C-O 120.749 0.309 . . . . 73.22 110.884 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -69.18 -15.2 63.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.14 -0.482 . . . . 74.43 111.725 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 19.2 mmm-85 -69.4 -64.53 0.86 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.512 -0.181 . . . . 73.15 110.512 177.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.783 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -63.75 -30.84 71.89 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 120.789 -0.364 . . . . 74.15 110.285 178.297 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -52.79 -48.03 67.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.853 -0.612 . . . . 72.0 109.802 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -29.25 68.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.954 -0.566 . . . . 73.11 110.916 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.466 HD23 ' HB2' ' A' ' 86' ' ' SER . 80.8 mt -73.61 -39.89 64.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.479 -0.328 . . . . 74.35 111.416 -175.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.514 ' HA ' HD12 ' A' ' 90' ' ' LEU . 1.0 OUTLIER -78.17 -25.96 47.43 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.709 -0.396 . . . . 73.32 111.001 178.018 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -75.74 -43.26 47.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.041 0.448 . . . . 73.14 110.939 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -88.9 -16.15 32.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.723 -0.671 . . . . 75.24 110.663 -175.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 66.13 43.72 2.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.275 -0.875 . . . . 71.43 111.176 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.466 ' HB2' HD23 ' A' ' 81' ' ' LEU . 9.3 m -81.97 128.27 33.9 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.312 -0.858 . . . . 50.54 108.934 175.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.45 -0.17 3.51 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.171 0.804 . . . . 73.44 113.171 -171.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.467 ' H ' HD23 ' A' ' 88' ' ' LEU . 2.5 mm? -63.08 -35.04 78.92 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.857 0.36 . . . . 74.22 111.33 -176.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.783 HD23 ' HB3' ' A' ' 78' ' ' LEU . 18.8 tp -105.05 -25.95 12.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.307 0.575 . . . . 75.52 110.614 176.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 82' ' ' LEU . 12.1 mt -106.25 13.99 28.11 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.331 0.863 . . . . 73.42 113.331 -165.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -70.55 159.78 33.68 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-O 121.289 0.566 . . . . 74.53 111.537 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.8 m -85.32 148.66 25.93 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.01 -0.996 . . . . 63.32 109.805 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 32.0 p -146.4 -176.21 5.08 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.137 -0.483 . . . . 75.44 110.797 -174.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -105.18 40.61 1.49 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 113.187 0.81 . . . . 74.24 113.187 -175.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.658 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 85.0 m . . . . . 0 N--CA 1.454 -0.251 0 C-N-CA 119.192 -1.003 . . . . 72.41 109.939 172.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.68 HG23 ' HG2' ' A' ' 75' ' ' LYS . 5.7 tp . . . . . 0 CA--C 1.519 -0.248 0 N-CA-C 109.204 -0.665 . . . . 74.53 109.204 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -63.66 -41.35 98.2 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.096 -0.956 . . . . 73.41 108.45 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.472 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 8.3 t-80 -60.21 -40.96 91.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.244 -0.889 . . . . 63.34 109.886 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.425 ' HG2' ' HA ' ' A' ' 5' ' ' ILE . 66.7 mmtt -62.68 -48.74 77.97 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.148 -0.478 . . . . 74.54 110.026 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.768 HG12 ' CZ ' ' A' ' 52' ' ' PHE . 35.8 t -55.23 -43.94 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 115.925 -0.579 . . . . 74.12 110.362 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.418 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 12.5 m-30 -62.08 -51.36 68.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.023 -0.535 . . . . 74.0 109.812 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 12.1 mm100 -46.6 -44.95 18.6 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.218 0.822 . . . . 75.44 113.218 -172.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.407 HD11 ' H ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -92.15 -42.56 9.84 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.858 -0.337 . . . . 74.3 111.657 -176.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.5 HD21 ' O ' ' A' ' 89' ' ' LEU . 20.7 mt -64.15 -45.16 89.69 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.539 0.57 . . . . 74.14 112.539 -176.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -62.99 -27.32 69.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.192 0.52 . . . . 74.04 109.687 178.637 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -82.58 -23.59 34.36 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.472 -0.785 . . . . 73.2 110.196 -175.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -81.35 -6.98 59.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.508 -0.769 . . . . 73.12 109.303 173.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.584 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 90.73 33.35 8.47 Favored Glycine 0 N--CA 1.439 -1.154 0 CA-C-N 115.333 -0.849 . . . . 74.44 111.8 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 5.0 t -110.72 139.1 46.31 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.642 -0.423 . . . . 71.01 110.165 175.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.43 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -124.2 -9.63 7.59 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.477 0.656 . . . . 71.35 109.617 168.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.41 ' OD1' ' HA ' ' A' ' 55' ' ' HIS . 10.2 t0 -85.05 80.47 9.26 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.111 -0.949 . . . . 72.22 110.822 -175.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -169.75 157.15 6.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.215 -0.902 . . . . 74.34 110.462 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.8 165.47 29.03 Favored Glycine 0 C--O 1.226 -0.389 0 C-N-CA 120.973 -0.632 . . . . 71.34 112.016 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.0 p -91.61 153.17 19.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.958 0.379 . . . . 75.41 111.036 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.524 ' HE3' ' HB2' ' A' ' 51' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 CA-C-O 120.865 0.364 . . . . 73.23 110.255 172.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.521 ' HB3' ' HG2' ' A' ' 63' ' ' LYS . 45.5 m-85 . . . . . 0 N--CA 1.446 -0.657 0 CA-C-O 120.952 0.406 . . . . 64.5 110.684 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -85.91 109.21 18.57 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.821 -0.627 . . . . 71.23 109.662 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.41 74.74 2.45 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.755 -0.657 . . . . 74.54 111.921 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.411 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 2.3 m-85 -74.8 133.78 41.89 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.179 -0.304 . . . . 70.31 110.179 177.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.524 ' HB2' ' HE3' ' A' ' 24' ' ' LYS . 3.0 m -154.5 152.64 30.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.5 -0.318 . . . . 64.45 110.793 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.768 ' CZ ' HG12 ' A' ' 9' ' ' VAL . 26.3 t80 -107.29 119.61 39.87 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 109.286 -0.635 . . . . 73.51 109.286 170.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.498 ' CE1' ' HG2' ' A' ' 24' ' ' LYS . 1.9 m-85 -91.1 144.91 25.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.594 -0.73 . . . . 73.43 111.447 -177.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.444 ' HB3' HG21 ' A' ' 59' ' ' VAL . 13.8 tpt180 -148.73 104.09 3.44 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.96 -1.018 . . . . 74.03 109.728 -178.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.41 ' HA ' ' OD1' ' A' ' 20' ' ' ASP . 8.2 m-70 60.16 25.0 14.32 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.8 0.333 . . . . 73.3 111.653 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.95 -12.48 69.84 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.558 -0.83 . . . . 42.43 112.226 -177.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -90.68 178.09 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.697 -0.483 . . . . 74.52 109.697 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.514 HD13 ' HB3' ' A' ' 51' ' ' SER . 20.9 mm -116.32 119.92 63.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.08 -0.509 . . . . 74.4 110.625 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.444 HG21 ' HB3' ' A' ' 54' ' ' ARG . 64.7 t -96.57 -39.18 8.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.683 -0.689 . . . . 73.44 110.337 176.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.517 ' HB1' ' HG ' ' A' ' 78' ' ' LEU . . . -130.02 140.84 50.81 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.008 -0.542 . . . . 74.24 110.566 178.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -141.65 145.49 35.03 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.405 -0.361 . . . . 73.55 110.247 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.56 99.38 0.18 Allowed Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 111.431 -0.667 . . . . 75.33 111.431 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.521 ' HG2' ' HB3' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -92.91 115.96 28.61 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.736 -0.468 . . . . 74.35 109.736 177.755 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.496 ' HB2' ' HB1' ' A' ' 70' ' ' ALA . 60.6 m -142.88 162.12 36.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.806 0.336 . . . . 61.35 110.857 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.9 mtp-105 -77.75 -21.2 52.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.148 0.499 . . . . 74.32 109.78 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.441 ' HD2' ' HA ' ' A' ' 66' ' ' LYS . 31.0 tptt -109.34 132.94 53.65 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.502 -0.772 . . . . 74.12 110.278 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.7 -41.46 47.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.603 -0.726 . . . . 72.33 111.764 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.59 -34.34 53.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.334 -0.394 . . . . 74.04 112.052 -173.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -68.89 -42.28 77.15 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.342 -0.614 . . . . 74.2 109.342 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.496 ' HB1' ' HB2' ' A' ' 64' ' ' SER . . . -58.12 -44.49 87.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.175 -0.92 . . . . 64.44 110.682 176.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.499 ' HB3' ' CE ' ' A' ' 75' ' ' LYS . 65.2 mttm -55.27 -51.13 67.64 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 115.666 -0.697 . . . . 75.32 110.523 173.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -52.68 -46.79 67.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.103 -0.953 . . . . 73.45 111.365 -174.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.449 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 44.1 mt -61.04 -55.16 26.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.579 -0.737 . . . . 64.32 111.487 -177.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.505 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 3.8 ptt? -63.95 -41.95 97.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.41 -0.359 . . . . 74.41 110.758 -177.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.68 ' HG2' HG23 ' A' ' 5' ' ' ILE . 56.8 mttm -58.55 -45.54 88.73 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 120.626 0.25 . . . . 64.32 111.097 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -64.88 -22.54 67.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.311 -0.404 . . . . 75.31 111.605 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 16.9 mmm180 -64.32 -67.04 0.46 Allowed 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 121.24 -0.184 . . . . 75.14 110.886 177.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.517 ' HG ' ' HB1' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -64.4 -31.05 72.1 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.237 -0.585 . . . . 73.53 110.95 179.515 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -53.51 -50.35 65.61 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.741 -0.466 . . . . 70.12 109.741 177.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -66.44 -29.89 70.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.284 -0.417 . . . . 73.11 111.04 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 94.8 mt -70.9 -37.5 72.97 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.502 0.186 . . . . 73.12 111.502 -177.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.489 HD21 HD13 ' A' ' 5' ' ' ILE . 2.0 pp -82.71 -13.14 56.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.345 . . . . 71.51 111.265 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -92.2 -42.81 9.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.109 0.481 . . . . 73.32 110.48 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -83.11 -18.14 40.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.859 -0.609 . . . . 74.41 110.004 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm 66.64 44.94 2.12 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.982 -1.008 . . . . 75.43 111.029 178.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.8 m -85.04 139.88 31.42 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.182 -0.917 . . . . 64.12 110.145 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -68.01 -9.06 42.74 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.315 0.487 . . . . 64.23 112.315 -174.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.477 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -57.13 -37.81 72.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.76 0.314 . . . . 72.13 111.791 -176.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.533 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 5.3 tp -108.56 -15.33 14.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.438 0.637 . . . . 73.54 110.469 177.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.5 mt -113.0 19.1 17.55 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 112.898 0.703 . . . . 75.02 112.898 -170.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -72.3 158.92 34.92 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.731 -0.388 . . . . 72.42 111.33 -177.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.5 m -82.3 141.76 32.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.74 -0.664 . . . . 52.45 110.275 177.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.8 p -142.79 174.52 10.58 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.371 -0.377 . . . . 64.51 110.841 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -108.05 73.4 0.89 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.305 -0.407 . . . . 75.23 111.642 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 73.6 m . . . . . 0 N--CA 1.454 -0.273 0 C-N-CA 119.735 -0.786 . . . . 70.35 110.617 166.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.585 HG22 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.448 -0.568 0 CA-C-O 121.125 0.488 . . . . 72.13 109.827 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.542 ' O ' ' HD1' ' A' ' 10' ' ' TYR . 1.9 mp0 -56.99 -44.97 83.27 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.567 -0.742 . . . . 74.42 110.292 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.662 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 52.9 m170 -59.33 -42.86 92.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.333 -0.394 . . . . 74.31 110.469 178.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -60.88 -48.65 80.86 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.337 -0.392 . . . . 73.24 111.021 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.644 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 48.9 t -57.81 -39.84 72.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.001 -0.545 . . . . 70.0 110.776 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.542 ' HD1' ' O ' ' A' ' 6' ' ' GLU . 28.4 m-85 -69.0 -39.84 79.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.548 -0.296 . . . . 73.41 110.957 178.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.662 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 24.9 mm-40 -52.43 -45.39 65.96 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.495 0.554 . . . . 75.31 112.495 -175.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.519 HD13 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -94.82 -42.79 8.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.452 0.538 . . . . 71.44 112.452 -175.48 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.519 ' H ' HD13 ' A' ' 12' ' ' LEU . 20.1 mt -61.99 -42.39 99.09 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.367 0.506 . . . . 74.32 112.367 -175.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 19.2 pttp -63.54 -29.06 70.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.073 0.464 . . . . 73.4 109.839 178.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.36 -21.18 39.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.747 -0.66 . . . . 75.52 111.188 -178.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -84.52 -1.87 56.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.585 0.707 . . . . 74.53 109.625 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.571 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 90.1 32.17 10.07 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-N 115.19 -0.914 . . . . 70.33 111.921 177.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.526 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 5.0 t -114.02 140.4 48.47 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.686 -0.406 . . . . 62.32 110.152 176.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.421 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -125.97 -4.39 6.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.295 0.569 . . . . 74.2 110.102 171.075 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -93.39 83.59 4.59 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.772 -0.649 . . . . 71.13 110.474 -175.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.408 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 20.0 p90 -170.34 149.0 3.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.254 -0.884 . . . . 75.41 110.417 176.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.05 -178.71 48.44 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.41 -0.676 . . . . 71.32 111.41 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -109.72 150.25 28.58 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 117.447 0.623 . . . . 62.04 111.061 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.515 ' HG2' ' HB3' ' A' ' 51' ' ' SER . 44.6 pttt . . . . . 0 C--N 1.321 -0.647 0 N-CA-C 109.011 -0.737 . . . . 74.51 109.011 171.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 . . . . . 0 N--CA 1.445 -0.687 0 N-CA-C 109.859 -0.423 . . . . 75.2 109.859 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -77.85 113.12 15.42 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.033 -0.53 . . . . 71.24 109.776 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.79 81.58 1.72 Allowed Glycine 0 N--CA 1.441 -1.013 0 CA-C-N 115.825 -0.625 . . . . 75.51 111.624 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.41 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 5.4 m-85 -84.4 130.65 34.76 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.667 -0.494 . . . . 74.1 109.667 174.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.604 ' OG ' HD12 ' A' ' 58' ' ' ILE . 6.4 t -158.51 149.85 20.86 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.181 -0.463 . . . . 73.13 109.932 -177.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.644 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 35.9 t80 -104.24 122.35 45.2 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 110.025 -0.361 . . . . 74.14 110.025 177.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -93.41 138.75 31.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.051 -0.977 . . . . 70.24 110.985 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.482 ' HB3' HG21 ' A' ' 59' ' ' VAL . 13.5 tpt180 -140.19 104.11 4.74 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.192 -0.913 . . . . 71.34 109.339 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 63.13 25.18 14.79 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.247 0.342 . . . . 74.2 111.367 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.16 3.61 82.22 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.611 -0.805 . . . . 55.34 112.125 -177.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -105.51 175.6 5.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.496 -0.557 . . . . 63.41 109.496 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.604 HD12 ' OG ' ' A' ' 51' ' ' SER . 28.8 mm -112.68 120.93 63.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.128 0.49 . . . . 70.04 111.101 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.482 HG21 ' HB3' ' A' ' 54' ' ' ARG . 59.3 t -100.43 -40.94 8.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.319 -0.855 . . . . 73.51 110.205 176.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.511 ' HB1' ' HG ' ' A' ' 78' ' ' LEU . . . -128.36 142.48 51.11 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 116.178 -0.465 . . . . 75.51 110.525 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -142.73 136.53 29.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.078 -0.342 . . . . 75.25 110.078 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.417 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -150.33 100.02 0.2 Allowed Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 111.229 -0.748 . . . . 64.02 111.229 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -99.96 120.91 40.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.777 0.322 . . . . 73.14 111.167 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.8 m -153.71 156.99 38.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.159 -0.473 . . . . 70.02 110.255 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -77.87 -16.34 58.34 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.476 -0.564 . . . . 70.4 109.476 176.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -93.59 121.94 35.52 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.701 -0.681 . . . . 75.1 109.48 173.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.429 HG21 ' HD3' ' A' ' 71' ' ' LYS . 12.1 p -57.77 -36.91 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 123.463 0.477 . . . . 72.31 110.856 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.23 -26.81 56.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 73.02 111.671 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -82.0 -44.11 17.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.094 0.473 . . . . 74.31 109.739 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.56 -51.25 70.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.234 -0.894 . . . . 74.21 110.527 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.429 ' HD3' HG21 ' A' ' 67' ' ' VAL . 5.4 mtpp -54.76 -44.3 73.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.18 -0.918 . . . . 72.34 110.977 174.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -56.09 -48.78 75.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.88 -0.6 . . . . 73.12 111.585 -176.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.417 ' HB ' ' HA3' ' A' ' 62' ' ' GLY . 42.6 mt -59.11 -54.99 26.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.758 -0.656 . . . . 74.21 111.421 -176.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 3.0 ptt? -61.65 -38.51 87.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 75.54 110.665 -178.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.585 ' HA ' HG22 ' A' ' 5' ' ' ILE . 47.5 mttm -57.09 -51.31 69.78 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 120.612 0.244 . . . . 71.2 110.683 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -62.12 -20.16 63.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 62.34 111.926 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.561 ' HE ' ' HA ' ' A' ' 77' ' ' ARG . 1.3 mmp_? -65.86 -66.1 0.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.597 -0.274 . . . . 65.24 110.406 176.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.539 ' HB3' HD21 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -68.02 -28.41 67.38 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.321 -0.552 . . . . 74.01 110.746 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -52.45 -48.73 65.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 74.53 110.079 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -72.18 -27.67 62.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.998 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.9 mt -69.78 -36.77 76.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.711 -0.222 . . . . 71.21 111.293 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.45 HD23 ' CD1' ' A' ' 5' ' ' ILE . 1.3 pp -85.12 -27.56 26.15 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.848 -0.341 . . . . 73.23 111.268 178.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -71.09 -41.87 70.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.04 0.448 . . . . 71.41 110.799 175.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -89.09 -13.07 39.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.045 -0.525 . . . . 65.42 110.554 -177.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 65.26 47.33 2.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.41 -0.814 . . . . 72.3 110.881 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.5 m -89.01 139.32 30.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.624 -0.717 . . . . 75.34 110.747 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -70.84 -4.37 23.82 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.41 0.522 . . . . 75.04 112.41 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -62.91 -32.07 73.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.024 0.44 . . . . 75.42 111.222 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.612 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 5.2 tp -114.25 -9.03 12.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.624 0.726 . . . . 71.12 110.18 176.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.5 mt -119.77 22.44 11.57 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.818 -0.628 . . . . 72.22 112.394 -172.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -71.65 160.48 32.58 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.01 0.433 . . . . 75.43 111.639 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.7 m -84.4 139.48 32.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.624 -0.716 . . . . 71.01 110.607 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 15.3 p -140.18 -178.28 5.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.67 -0.695 . . . . 74.32 110.197 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -116.96 69.33 0.75 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.497 -0.319 . . . . 74.11 111.231 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.571 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 67.9 m . . . . . 0 C--N 1.331 -0.202 0 O-C-N 121.739 -0.601 . . . . 64.1 110.57 168.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.806 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 121.204 0.526 . . . . 64.01 109.723 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.24 -41.27 88.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.212 -0.904 . . . . 71.23 109.688 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.676 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 1.5 m80 -58.05 -53.07 62.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.034 -0.53 . . . . 74.11 110.767 172.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.524 ' HG2' ' HA ' ' A' ' 5' ' ' ILE . 52.1 mmtt -55.61 -50.46 70.07 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 123.351 0.407 . . . . 74.44 111.175 -175.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.445 HG12 ' CE2' ' A' ' 52' ' ' PHE . 7.5 p -65.13 -36.97 79.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 73.12 111.343 -175.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.505 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 12.0 m-30 -68.09 -34.39 76.31 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.666 -0.494 . . . . 71.41 109.666 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.676 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 78.3 mm-40 -58.61 -48.66 80.25 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.777 -0.647 . . . . 74.41 112.136 -174.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.474 ' O ' ' HB3' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -90.63 -33.58 15.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.155 -0.475 . . . . 73.21 112.218 -173.809 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 89' ' ' LEU . 19.0 mt -66.34 -43.05 87.18 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 120.781 -0.368 . . . . 75.51 111.822 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 60.7 pttt -64.44 -26.84 68.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.047 0.451 . . . . 74.43 110.233 177.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.474 ' HB3' ' O ' ' A' ' 12' ' ' LEU . 14.5 t70 -66.85 -45.97 76.53 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.839 -0.618 . . . . 64.42 110.79 178.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -73.71 -6.64 48.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.125 -0.943 . . . . 73.24 111.449 -175.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.536 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 95.77 38.07 4.79 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.519 -0.848 . . . . 52.33 111.726 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.2 t -120.23 138.26 53.75 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.032 -0.358 . . . . 63.41 110.032 175.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.56 -8.82 6.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.094 0.474 . . . . 72.12 109.925 168.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.415 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 26.3 t70 -86.16 79.58 9.06 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 121.543 0.687 . . . . 74.22 111.241 -176.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 13.3 p90 -163.37 165.45 23.99 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.809 -1.087 . . . . 74.04 109.899 176.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.03 177.62 38.86 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.909 -0.662 . . . . 44.13 111.531 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 p -112.06 138.26 48.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.997 0.427 . . . . 74.42 111.477 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.549 ' HG2' ' HB3' ' A' ' 51' ' ' SER . 14.6 pttp . . . . . 0 N--CA 1.449 -0.491 0 N-CA-C 108.51 -0.922 . . . . 70.04 108.51 171.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 . . . . . 0 N--CA 1.446 -0.646 0 CA-C-O 120.972 0.415 . . . . 73.41 110.323 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.489 ' CE2' ' HB ' ' A' ' 67' ' ' VAL . 4.5 m-30 -82.32 104.59 12.74 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.099 -0.704 . . . . 73.23 109.099 175.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.99 76.8 1.88 Allowed Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.688 -0.687 . . . . 71.13 112.487 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.535 ' HA ' ' O ' ' A' ' 24' ' ' LYS . 18.2 m-85 -80.34 136.58 36.42 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.997 -0.372 . . . . 71.53 109.997 174.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.625 ' OG ' HD13 ' A' ' 58' ' ' ILE . 23.2 t -167.7 145.39 4.49 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.846 -0.427 . . . . 74.32 109.846 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.62 ' CG ' HD23 ' A' ' 78' ' ' LEU . 41.3 t80 -100.41 121.8 42.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.768 0.318 . . . . 73.35 110.326 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -93.29 138.12 31.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.235 -0.893 . . . . 75.42 110.911 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.444 ' HB3' HG21 ' A' ' 59' ' ' VAL . 16.2 tpt180 -141.55 104.35 4.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.387 -0.824 . . . . 75.35 109.953 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.415 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 6.1 m-70 56.55 31.6 19.33 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.825 0.345 . . . . 72.52 111.4 -177.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.35 -13.16 64.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 72.14 112.656 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -89.98 173.46 8.2 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.661 -0.496 . . . . 75.12 109.661 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.625 HD13 ' OG ' ' A' ' 51' ' ' SER . 25.8 mm -115.8 114.9 47.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.763 -0.653 . . . . 74.24 110.408 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.47 HG13 HD13 ' A' ' 89' ' ' LEU . 92.5 t -94.2 -38.39 9.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.272 -0.876 . . . . 65.04 109.735 178.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.419 ' HB1' ' HG ' ' A' ' 78' ' ' LEU . . . -128.36 139.18 52.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.597 -0.728 . . . . 74.24 110.044 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.404 ' HD2' HG21 ' A' ' 58' ' ' ILE . 2.1 t80 -143.34 125.43 15.37 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.6 -0.518 . . . . 74.42 109.6 176.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.518 ' O ' ' HB3' ' A' ' 70' ' ' ALA . . . -141.38 95.54 0.19 Allowed Glycine 0 N--CA 1.44 -1.076 0 N-CA-C 111.235 -0.746 . . . . 61.54 111.235 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -99.76 124.51 45.1 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.837 0.351 . . . . 72.05 110.606 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.2 m -155.01 159.93 40.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.22 -0.445 . . . . 71.1 110.037 177.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -74.46 -19.61 60.32 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.114 -0.698 . . . . 75.35 109.114 177.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -101.17 126.59 47.89 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.16 -0.927 . . . . 73.5 109.827 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.521 HG21 ' CE2' ' A' ' 50' ' ' PHE . 3.0 p -55.59 -47.75 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 O-C-N 123.42 0.45 . . . . 74.34 111.304 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.4 ' N ' HG13 ' A' ' 67' ' ' VAL . . . -63.39 -39.79 95.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.064 -0.516 . . . . 72.12 111.509 -178.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -69.39 -45.3 69.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.075 0.464 . . . . 72.51 110.271 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 62' ' ' GLY . . . -59.05 -47.07 86.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.01 0.909 . . . . 62.53 110.172 177.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.765 ' HG2' ' HZ2' ' A' ' 75' ' ' LYS . 15.9 ttpt -64.57 -37.3 87.07 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.088 -1.415 . . . . 75.51 110.439 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.518 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 5.9 t80 -57.31 -50.67 72.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.489 -0.778 . . . . 74.11 110.961 176.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.2 mt -59.29 -52.67 58.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.84 -0.618 . . . . 71.24 111.551 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.8 ptt? -60.32 -39.03 85.59 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.266 -0.425 . . . . 72.11 110.42 -178.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.806 ' HG2' ' HB ' ' A' ' 5' ' ' ILE . 35.0 mttp -55.35 -47.73 75.28 Favored 'General case' 0 CA--C 1.526 0.043 0 CA-C-O 120.629 0.252 . . . . 73.42 111.286 177.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 83.8 mm-40 -60.68 -25.43 66.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.971 -0.559 . . . . 74.11 111.38 -177.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.522 ' O ' HD21 ' A' ' 81' ' ' LEU . 23.5 mmm180 -67.43 -69.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.476 . . . . 74.24 110.874 178.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.671 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -62.57 -32.85 73.89 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.281 -0.567 . . . . 74.54 110.54 -176.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.476 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 9.5 tp -47.2 -54.58 10.38 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 123.647 0.592 . . . . 71.12 110.276 176.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -59.83 -34.3 72.9 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.326 -0.852 . . . . 74.25 111.273 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 86' ' ' SER . 0.5 OUTLIER -67.06 -42.79 84.16 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.37 -0.532 . . . . 64.33 110.91 178.797 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.493 HD23 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -80.0 -23.66 41.38 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.075 -0.25 . . . . 74.13 111.318 -178.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -74.09 -48.94 26.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.073 0.463 . . . . 73.54 110.885 174.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -86.68 -11.17 52.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.268 0.556 . . . . 73.43 110.003 -175.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm 60.96 50.94 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.903 -1.044 . . . . 74.24 110.436 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.571 ' HB2' HD11 ' A' ' 81' ' ' LEU . 10.5 m -96.23 143.36 27.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.251 -0.886 . . . . 65.24 110.526 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -71.87 -0.61 11.74 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.437 0.532 . . . . 73.11 112.437 -172.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.6 -33.08 75.08 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.857 0.36 . . . . 75.32 111.173 -178.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.671 HD23 ' HB3' ' A' ' 78' ' ' LEU . 10.0 tp -113.34 -14.61 12.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.437 0.637 . . . . 73.41 110.563 173.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.4 mt -111.07 23.56 13.97 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 112.912 0.708 . . . . 74.04 112.912 -171.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -75.2 165.1 25.73 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.186 0.517 . . . . 75.33 111.402 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.3 m -94.0 149.99 20.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.363 -0.835 . . . . 72.11 111.108 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 18.3 p -146.9 -175.17 4.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.75 -0.659 . . . . 72.3 109.651 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -124.0 68.98 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.72 0.295 . . . . 74.11 110.789 176.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 13.2 m . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 121.416 0.627 . . . . 70.33 110.214 172.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.605 HG13 ' O ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.626 0.25 . . . . 71.22 111.594 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.65 -32.95 73.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.711 0.291 . . . . 70.53 110.233 -175.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -64.02 -39.48 94.2 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.548 -0.538 . . . . 72.52 109.548 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.48 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 55.6 mmtt -62.59 -48.68 78.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.982 -0.554 . . . . 73.42 110.046 178.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.711 HG12 ' CZ ' ' A' ' 52' ' ' PHE . 57.4 t -54.94 -49.31 71.78 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 CA-C-N 115.803 -0.635 . . . . 75.4 111.126 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -63.12 -42.52 99.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.307 -0.406 . . . . 71.13 110.091 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -53.33 -48.09 68.77 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 113.103 0.779 . . . . 44.11 113.103 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -91.26 -38.39 12.7 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.834 -0.346 . . . . 60.12 111.885 -173.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 89' ' ' LEU . 20.5 mt -64.14 -44.59 91.69 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.185 0.439 . . . . 62.35 112.185 -177.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.612 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -62.57 -26.09 68.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.332 0.587 . . . . 75.31 109.872 178.761 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -77.43 -42.23 36.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.069 -0.969 . . . . 63.4 111.042 -177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -67.69 -19.59 65.19 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.034 -0.53 . . . . 74.42 110.738 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.529 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 111.12 40.7 1.24 Allowed Glycine 0 N--CA 1.438 -1.215 0 CA-C-N 115.529 -0.759 . . . . 71.15 111.892 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.612 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.2 t -126.39 135.3 51.27 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.452 -0.499 . . . . 75.31 110.591 173.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.46 4.81 9.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.285 0.564 . . . . 63.14 109.712 169.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -104.18 82.97 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.452 -0.794 . . . . 75.51 110.953 -172.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -168.53 154.44 6.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.657 -0.701 . . . . 65.41 110.164 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.37 162.52 29.93 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.799 -0.715 . . . . 64.43 112.124 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.466 HG22 ' CD2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -94.6 150.01 20.67 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.766 0.317 . . . . 74.03 111.633 -179.628 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.524 ' HE3' ' HB2' ' A' ' 51' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.377 -0.374 . . . . 72.52 110.154 172.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 . . . . . 0 N--CA 1.448 -0.541 0 CA-C-O 120.67 0.271 . . . . 74.12 110.298 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -87.78 107.51 18.69 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.781 0.324 . . . . 65.24 110.137 177.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.75 77.14 1.66 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.735 -0.745 . . . . 73.44 112.403 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.532 ' CE1' HG21 ' A' ' 67' ' ' VAL . 7.3 m-85 -72.68 136.66 45.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.733 0.302 . . . . 74.54 110.382 176.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.524 ' HB2' ' HE3' ' A' ' 24' ' ' LYS . 2.7 m -157.13 154.7 29.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.438 -0.346 . . . . 65.54 110.685 -179.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.711 ' CZ ' HG12 ' A' ' 9' ' ' VAL . 28.5 t80 -111.69 123.1 49.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.768 -0.456 . . . . 73.33 109.768 174.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -93.53 140.7 29.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.619 -0.719 . . . . 73.44 111.987 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.492 ' HB3' HG22 ' A' ' 59' ' ' VAL . 15.1 tpt180 -144.72 105.91 4.2 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.247 -0.888 . . . . 74.21 109.669 179.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 60.85 28.68 18.43 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.792 0.33 . . . . 75.24 111.082 -177.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.4 -1.29 88.95 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.448 -0.882 . . . . 64.25 112.366 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -97.75 176.29 5.87 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.825 -0.435 . . . . 73.41 109.825 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.3 mm -114.42 115.69 50.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.031 -0.531 . . . . 73.44 110.716 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.492 HG22 ' HB3' ' A' ' 54' ' ' ARG . 68.2 t -94.33 -38.45 9.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.375 -0.829 . . . . 72.45 109.871 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.452 ' HB1' ' HG ' ' A' ' 78' ' ' LEU . . . -128.89 137.11 51.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.722 -0.672 . . . . 71.41 110.141 178.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -143.71 130.15 20.0 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.914 -0.402 . . . . 71.01 109.914 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -154.68 96.78 0.16 Allowed Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.838 -0.696 . . . . 74.41 112.134 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -92.95 127.38 38.44 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 120.777 0.323 . . . . 72.22 110.311 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.8 t -142.81 163.21 33.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.291 -0.413 . . . . 71.33 110.329 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.479 ' HD3' ' O ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -69.36 -25.42 64.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.933 -0.576 . . . . 75.45 110.004 179.192 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -120.98 149.98 41.83 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.834 0.349 . . . . 74.43 111.064 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.532 HG21 ' CE1' ' A' ' 50' ' ' PHE . 3.3 p -61.09 -42.65 94.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.836 -0.62 . . . . 71.42 111.643 -177.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.8 -52.01 67.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 62.43 111.855 -176.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -64.82 -43.57 92.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.254 -0.43 . . . . 74.1 110.507 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.41 -47.85 82.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.605 -0.725 . . . . 63.34 111.503 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.563 ' O ' ' HD3' ' A' ' 75' ' ' LYS . 54.4 mtmt -56.83 -46.67 81.52 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.116 0.484 . . . . 72.41 110.335 175.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -54.04 -48.6 70.38 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.022 -0.99 . . . . 73.14 111.179 -176.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.454 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 48.9 mt -58.37 -56.97 12.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.419 -0.81 . . . . 71.44 111.675 -177.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.434 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.6 ptt? -64.34 -38.32 90.62 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.878 -0.329 . . . . 74.04 111.074 -176.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.605 ' O ' HG13 ' A' ' 5' ' ' ILE . 5.6 mptp? -54.02 -51.15 64.93 Favored 'General case' 0 CA--C 1.526 0.057 0 CA-C-O 120.818 0.342 . . . . 74.15 110.359 177.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -62.2 -24.47 67.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.775 -0.648 . . . . 75.31 111.912 -178.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.573 ' NE ' ' HA ' ' A' ' 77' ' ' ARG . 3.4 mmp_? -64.88 -63.74 1.04 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.561 -0.29 . . . . 75.41 111.38 -178.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.739 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -65.33 -30.74 71.62 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.303 -0.559 . . . . 75.21 110.303 178.632 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.08 -47.17 68.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.693 -0.685 . . . . 73.12 109.888 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.413 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 11.2 mmmt -66.69 -33.69 76.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.105 -0.498 . . . . 75.31 111.071 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.541 ' HG ' ' HB2' ' A' ' 86' ' ' SER . 5.6 mp -67.1 -41.27 86.56 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.028 -0.533 . . . . 74.51 111.35 -177.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.424 HD22 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -81.55 -19.5 41.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.856 0.36 . . . . 72.24 111.465 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -80.47 -47.47 14.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.146 0.498 . . . . 63.31 110.911 175.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -87.29 -14.16 41.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.685 -0.688 . . . . 72.3 110.138 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 65.11 54.3 1.25 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.087 -0.96 . . . . 74.33 110.633 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.541 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 8.3 m -87.53 136.17 33.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.818 -1.083 . . . . 73.24 109.779 176.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -71.52 -2.42 16.79 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.212 0.449 . . . . 75.34 112.212 -172.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.427 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -64.29 -39.13 93.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.749 0.309 . . . . 63.31 110.732 -177.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.739 HD23 ' HB3' ' A' ' 78' ' ' LEU . 15.8 tp -105.55 -13.79 15.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.212 0.53 . . . . 64.31 111.004 175.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.6 mt -116.22 25.65 10.5 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 112.999 0.74 . . . . 74.5 112.999 -170.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -75.85 161.25 29.15 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.763 -0.375 . . . . 75.04 111.184 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.7 t -89.07 145.86 25.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.187 0.518 . . . . 63.54 110.165 178.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 16.8 p -150.62 156.82 42.12 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.83 -0.623 . . . . 74.33 109.712 -177.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -93.27 78.51 4.49 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.408 -0.517 . . . . 75.3 110.902 174.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 20.2 m . . . . . 0 C--N 1.33 -0.247 0 C-N-CA 119.946 -0.702 . . . . 53.31 109.182 163.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.624 HG13 ' O ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 111.807 0.299 . . . . 74.0 111.807 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' HA ' HG11 ' A' ' 9' ' ' VAL . 6.5 mt-10 -69.49 -29.98 67.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.037 -0.356 . . . . 63.42 110.037 -176.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -65.39 -45.07 85.49 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.939 -0.573 . . . . 73.13 109.501 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 60.1 mmtt -62.12 -49.03 77.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.514 -0.766 . . . . 63.2 111.181 -175.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.404 HG11 ' HA ' ' A' ' 6' ' ' GLU . 7.7 p -65.11 -40.97 90.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.869 -0.605 . . . . 71.1 111.644 -175.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -68.7 -35.83 77.68 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.402 -0.592 . . . . 74.32 109.402 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 9.0 mm-40 -51.4 -55.42 18.72 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.575 -0.739 . . . . 73.4 112.279 -175.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.439 HD11 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -85.58 -39.11 17.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.669 -0.696 . . . . 73.51 111.628 -174.451 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.452 HD13 HD12 ' A' ' 89' ' ' LEU . 25.6 mt -62.35 -45.36 93.52 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.193 0.442 . . . . 73.33 112.193 -177.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -25.99 66.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.016 0.436 . . . . 73.15 110.132 179.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -74.15 -42.75 59.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.716 -0.675 . . . . 72.52 110.046 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 7.1 mt-30 -67.08 -13.22 61.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.47 -0.786 . . . . 63.44 110.432 177.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.505 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 94.07 30.48 8.79 Favored Glycine 0 N--CA 1.436 -1.347 0 CA-C-N 115.621 -0.718 . . . . 43.44 112.211 178.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.404 ' C ' ' HE1' ' A' ' 21' ' ' PHE . 4.8 t -100.29 142.96 31.06 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.839 -0.43 . . . . 65.2 109.839 175.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -125.02 -14.83 6.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.649 0.738 . . . . 73.44 110.118 170.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -86.21 81.45 8.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.506 -0.77 . . . . 73.55 110.742 -175.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.49 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 28.0 p90 -169.98 152.05 4.25 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.079 -0.964 . . . . 75.14 110.196 175.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.04 157.6 19.84 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.993 -0.622 . . . . 61.03 111.654 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -88.64 143.22 27.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.786 0.327 . . . . 64.11 111.422 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 N-CA-C 109.24 -0.652 . . . . 54.25 109.24 174.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 N--CA 1.447 -0.58 0 N-CA-C 109.698 -0.482 . . . . 75.1 109.698 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -88.84 113.29 24.23 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.248 -0.433 . . . . 73.24 109.947 177.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.05 81.33 1.6 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.905 -0.664 . . . . 73.41 111.974 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.573 ' HB3' ' SD ' ' A' ' 74' ' ' MET . 12.1 m-85 -83.39 134.32 34.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.933 0.397 . . . . 75.1 110.229 174.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.445 ' HB3' HD13 ' A' ' 58' ' ' ILE . 16.0 m -154.77 153.86 31.89 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.298 -0.41 . . . . 71.55 110.459 177.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.578 ' CG ' HD23 ' A' ' 78' ' ' LEU . 33.2 t80 -110.19 121.88 46.32 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.549 -0.538 . . . . 71.43 109.549 174.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -92.07 141.01 29.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.645 -0.707 . . . . 71.01 111.194 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.484 ' HB3' HG22 ' A' ' 59' ' ' VAL . 13.8 tpt180 -145.31 104.08 3.9 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.262 -0.881 . . . . 73.21 109.647 -178.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 61.67 24.37 14.49 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.734 0.302 . . . . 70.24 111.557 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.86 -2.68 80.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 70.02 111.869 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -100.1 177.16 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.657 -0.498 . . . . 63.2 109.657 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.445 HD13 ' HB3' ' A' ' 51' ' ' SER . 13.9 mm -117.02 113.23 42.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.057 -0.52 . . . . 75.34 110.196 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.498 HG12 HD13 ' A' ' 89' ' ' LEU . 77.5 t -90.65 -36.95 8.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.582 -0.735 . . . . 74.4 109.849 176.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -127.33 136.24 51.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.739 -0.664 . . . . 63.43 110.676 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -138.51 128.43 25.3 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.045 -0.525 . . . . 72.41 109.813 174.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.421 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -147.64 92.34 0.15 Allowed Glycine 0 N--CA 1.442 -0.953 0 CA-C-N 115.834 -0.621 . . . . 64.21 111.63 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -100.01 117.53 34.49 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.825 -0.435 . . . . 71.32 109.825 177.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.1 t -144.8 164.3 31.47 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.924 0.393 . . . . 70.04 110.769 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -69.69 -30.61 68.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.7 -0.682 . . . . 75.1 110.498 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -101.39 133.5 45.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.749 -0.659 . . . . 61.31 109.965 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.36 -45.16 93.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.921 -0.581 . . . . 75.23 111.366 -175.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.625 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . . . -69.16 -34.29 74.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.212 -0.449 . . . . 75.31 111.726 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -71.49 -44.56 64.48 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.791 -0.448 . . . . 71.32 109.791 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.515 ' HA ' HD11 ' A' ' 73' ' ' ILE . . . -54.47 -47.76 72.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.05 0.928 . . . . 63.31 110.232 174.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.625 ' HE2' ' HA ' ' A' ' 68' ' ' ALA . 30.2 ttpt -61.84 -42.72 99.38 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 113.609 -1.632 . . . . 73.53 110.226 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -55.84 -48.09 76.09 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.804 -0.635 . . . . 64.42 110.858 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.529 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 45.0 mt -57.32 -54.18 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.609 -0.723 . . . . 72.14 111.37 -177.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.573 ' SD ' ' HB3' ' A' ' 50' ' ' PHE . 2.7 ptt? -63.58 -39.03 93.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.428 -0.351 . . . . 73.32 110.538 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.624 ' O ' HG13 ' A' ' 5' ' ' ILE . 56.2 mttm -57.91 -47.65 82.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 121.021 -0.272 . . . . 74.45 110.918 178.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -60.32 -26.29 66.44 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.778 0.288 . . . . 75.35 111.778 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 4.0 mmp_? -62.56 -60.8 3.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.402 -0.363 . . . . 74.41 110.844 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.779 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -69.99 -33.58 72.23 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.034 -0.666 . . . . 74.12 110.166 178.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -51.74 -51.03 59.27 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.851 -0.613 . . . . 73.11 109.881 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.441 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 14.6 mmmt -65.69 -33.84 76.82 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.928 -0.578 . . . . 74.13 111.443 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.52 HD22 ' HB2' ' A' ' 89' ' ' LEU . 4.2 mp -64.41 -43.63 93.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.511 -0.313 . . . . 75.13 111.388 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.521 ' HA ' HD13 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -77.62 -31.5 52.87 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.922 -0.311 . . . . 74.25 111.531 -179.332 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -73.4 -44.16 59.01 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.083 0.468 . . . . 73.14 111.037 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -83.57 -18.33 38.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.785 -0.643 . . . . 74.5 110.311 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm 67.67 46.3 1.34 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.123 -0.944 . . . . 75.13 110.662 -177.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.445 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 5.2 m -78.71 134.69 37.07 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 114.501 -1.227 . . . . 71.51 109.933 174.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -69.2 -3.19 12.64 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.499 0.555 . . . . 72.41 112.499 -174.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -64.18 -39.56 94.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.579 0.228 . . . . 74.5 111.156 -176.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.779 HD23 ' HB3' ' A' ' 78' ' ' LEU . 21.4 tp -105.42 -12.98 15.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.603 0.716 . . . . 75.45 111.08 176.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.521 HD13 ' HA ' ' A' ' 82' ' ' LEU . 14.6 mt -114.78 21.6 14.25 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.807 -0.633 . . . . 75.22 112.68 -170.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -71.96 159.01 34.96 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.862 0.363 . . . . 74.14 110.755 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.7 p -84.82 136.75 33.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.855 -0.611 . . . . 75.22 110.332 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.6 p -136.39 174.26 10.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.113 -0.494 . . . . 75.41 109.959 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -113.39 66.33 0.66 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.802 0.334 . . . . 75.41 111.241 -177.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 42.3 m . . . . . 0 C--N 1.333 -0.113 0 C-N-CA 120.357 -0.537 . . . . 71.31 110.642 170.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.769 HG22 ' HG2' ' A' ' 75' ' ' LYS . 4.7 tp . . . . . 0 CA--C 1.521 -0.148 0 N-CA-C 111.154 0.057 . . . . 65.23 111.154 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.15 -32.33 73.86 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.483 -0.562 . . . . 73.21 109.483 -178.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.662 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 22.3 t60 -66.53 -52.36 46.58 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.159 -0.682 . . . . 73.1 109.159 174.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -59.57 -51.02 71.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.396 -0.82 . . . . 74.25 111.464 -174.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.455 HG13 ' CD1' ' A' ' 10' ' ' TYR . 11.1 p -62.36 -38.2 80.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.912 -0.585 . . . . 73.12 111.241 -175.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.582 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 14.4 m-30 -69.49 -34.12 73.86 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.518 -0.549 . . . . 72.01 109.518 177.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.662 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 17.4 mm-40 -56.69 -51.16 69.85 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.124 -0.489 . . . . 74.31 112.175 -174.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.552 HD11 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -87.35 -40.16 14.68 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.335 -0.393 . . . . 74.54 111.853 -176.002 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.552 ' H ' HD11 ' A' ' 12' ' ' LEU . 18.9 mt -61.11 -45.16 95.85 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.103 0.408 . . . . 74.24 112.103 -177.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 63.0 pttt -64.36 -30.63 71.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.032 0.444 . . . . 73.33 109.813 177.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -69.91 -41.47 74.64 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.908 -0.587 . . . . 71.22 110.74 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 9.2 mt-30 -66.65 -6.28 14.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.564 -0.744 . . . . 73.51 110.789 177.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.459 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 88.95 33.36 9.79 Favored Glycine 0 N--CA 1.439 -1.139 0 C-N-CA 120.87 -0.681 . . . . 55.45 111.404 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.4 t -107.5 133.12 52.44 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.585 -0.446 . . . . 72.15 111.15 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -133.82 68.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.185 -0.672 . . . . 64.21 109.185 165.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.606 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 15.5 t70 -159.27 76.65 0.7 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.484 -0.78 . . . . 74.23 109.326 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.513 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 22.2 p90 -171.34 147.54 2.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.401 -0.818 . . . . 72.44 110.671 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.71 167.85 39.9 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 116.097 -0.501 . . . . 65.05 111.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.5 p -98.13 135.29 40.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.934 0.367 . . . . 75.12 111.105 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 N-CA-C 109.254 -0.647 . . . . 73.42 109.254 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 109.804 -0.443 . . . . 75.11 109.804 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.506 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 15.5 m-85 -87.83 116.84 26.26 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 120.904 0.383 . . . . 74.53 110.3 176.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.53 84.64 1.32 Allowed Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.763 -0.653 . . . . 62.33 111.796 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.438 ' HD2' ' SD ' ' A' ' 74' ' ' MET . 3.1 m-85 -84.13 137.54 33.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.823 0.344 . . . . 63.34 110.628 177.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.493 ' HB3' HD11 ' A' ' 58' ' ' ILE . 11.6 m -154.44 150.36 27.78 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.188 -0.46 . . . . 53.12 110.386 176.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.549 ' CG ' HD23 ' A' ' 78' ' ' LEU . 65.7 t80 -106.62 122.74 46.94 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.7 -0.481 . . . . 72.5 109.7 174.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -95.9 134.57 38.74 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.963 0.79 . . . . 74.4 110.75 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.513 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.7 OUTLIER -143.42 104.22 4.21 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.791 -0.818 . . . . 73.25 108.791 177.06 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.606 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 5.2 m-70 64.32 24.2 13.22 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.831 -0.622 . . . . 73.44 111.983 -175.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.71 -7.73 77.04 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.652 -0.785 . . . . 74.51 112.5 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -92.06 168.57 11.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.504 -0.554 . . . . 65.54 109.504 177.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.493 HD11 ' HB3' ' A' ' 51' ' ' SER . 20.3 mm -108.25 106.18 20.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.683 -0.69 . . . . 70.34 110.079 178.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.52 HG13 HD13 ' A' ' 89' ' ' LEU . 88.8 t -85.56 -37.17 11.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 CA-C-N 114.994 -1.003 . . . . 72.42 109.966 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -129.4 137.78 51.11 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 115.699 -0.682 . . . . 72.1 110.949 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -138.07 130.1 28.63 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.51 -0.552 . . . . 75.23 109.51 173.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.441 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -152.61 95.6 0.16 Allowed Glycine 0 N--CA 1.44 -1.074 0 C-N-CA 120.821 -0.704 . . . . 63.34 111.768 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.506 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 31.0 ttpt -98.72 133.67 42.72 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 110.275 -0.269 . . . . 73.1 110.275 176.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.1 m -149.28 165.82 30.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.91 0.386 . . . . 73.05 111.283 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -62.64 -31.86 72.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.549 -0.751 . . . . 74.43 110.159 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -118.95 145.65 45.61 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.762 -0.654 . . . . 75.1 110.871 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.46 -39.32 82.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.432 -0.804 . . . . 62.15 112.22 -173.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.96 -29.44 58.28 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.932 0.345 . . . . 73.13 111.932 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -73.57 -40.12 64.15 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.967 -0.753 . . . . 64.42 108.967 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 62' ' ' GLY . . . -59.39 -43.04 92.99 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.812 -1.085 . . . . 74.13 110.416 176.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.531 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 87.6 mttt -55.48 -49.44 72.52 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 115.545 -0.752 . . . . 75.31 110.567 173.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.441 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 47.2 t80 -52.95 -50.19 64.54 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.127 -0.942 . . . . 70.12 111.107 -174.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 35.3 mt -62.2 -48.82 86.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.824 -0.626 . . . . 73.31 110.913 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.477 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 54.3 ttp -53.4 -51.22 63.26 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.634 -0.712 . . . . 74.32 110.665 175.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.769 ' HG2' HG22 ' A' ' 5' ' ' ILE . 65.3 mttm -63.53 -40.93 98.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.485 -0.78 . . . . 70.13 111.668 -176.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 28.6 mm-40 -62.64 -28.86 70.2 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.503 0.192 . . . . 72.42 111.382 178.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 74' ' ' MET . 13.3 mmm180 -57.75 -65.23 0.67 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.502 -0.317 . . . . 75.22 110.74 176.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.758 ' HB3' HD21 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -66.12 -33.03 74.85 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.128 -0.629 . . . . 73.11 110.51 -178.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -51.69 -49.28 62.72 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.987 -0.552 . . . . 74.45 110.776 -178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -69.69 -32.06 70.45 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.81 -0.356 . . . . 74.31 110.954 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.543 ' HG ' ' HB2' ' A' ' 86' ' ' SER . 4.9 mp -64.38 -41.52 96.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.42 -0.354 . . . . 73.43 111.665 -178.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.478 HD23 HD13 ' A' ' 5' ' ' ILE . 1.3 pp -79.8 -22.75 42.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.685 0.279 . . . . 75.22 111.699 -178.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -82.16 -38.82 24.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.205 0.526 . . . . 65.33 110.537 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -89.15 -15.6 33.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.465 -0.789 . . . . 72.41 110.256 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp 67.26 43.25 2.08 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.295 -0.866 . . . . 75.54 110.757 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.543 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 7.8 m -78.16 131.59 37.26 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 114.852 -1.067 . . . . 75.51 110.247 178.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -63.78 -9.52 15.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.162 -0.472 . . . . 63.14 111.967 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.433 HD23 ' HB3' ' A' ' 86' ' ' SER . 2.7 mm? -58.81 -43.81 90.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.677 -0.238 . . . . 73.41 111.263 -177.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.758 HD21 ' HB3' ' A' ' 78' ' ' LEU . 27.9 tp -100.88 -24.61 14.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.413 0.625 . . . . 73.33 110.952 175.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 82' ' ' LEU . 8.5 mt -107.99 25.48 11.53 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 113.03 0.752 . . . . 74.52 113.03 -167.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -73.0 160.5 32.0 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 120.148 -0.621 . . . . 75.43 110.739 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.4 t -84.23 141.07 31.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.509 -0.769 . . . . 73.1 110.132 -178.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.1 p -139.64 169.57 17.49 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.729 -0.669 . . . . 73.13 109.577 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -108.79 68.02 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.578 0.228 . . . . 72.11 111.155 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 16.7 m . . . . . 0 C--N 1.331 -0.219 0 C-N-CA 120.079 -0.648 . . . . 74.2 110.373 170.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.553 HG23 ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.449 -0.482 0 CA-C-O 120.429 0.157 . . . . 75.34 111.229 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.54 ' OE1' HG22 ' A' ' 5' ' ' ILE . 1.2 mp0 -68.03 -37.61 81.57 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.106 -0.702 . . . . 65.33 109.106 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.634 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 2.6 t60 -56.34 -43.2 78.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.947 -1.024 . . . . 75.34 109.273 174.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -63.21 -51.08 67.72 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.817 -0.628 . . . . 73.23 110.843 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.719 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 57.4 t -53.97 -41.82 51.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.833 -0.621 . . . . 72.24 110.501 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.651 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 3.6 m-30 -65.73 -50.31 65.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.907 -0.588 . . . . 74.25 110.123 178.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 27.5 mm-40 -49.06 -45.0 42.28 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.282 0.845 . . . . 73.2 113.282 -173.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.487 HD13 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -94.85 -41.62 9.12 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.189 0.44 . . . . 63.53 112.189 -174.617 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.576 HD22 ' NH2' ' A' ' 54' ' ' ARG . 22.7 mt -65.5 -42.4 92.17 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.093 0.405 . . . . 72.54 112.093 -175.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.651 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 58.0 pttt -64.85 -25.41 67.89 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.893 -0.323 . . . . 73.14 110.558 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -73.22 -45.45 56.04 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.034 0.445 . . . . 71.23 110.444 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -62.86 -25.31 68.22 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.413 -0.812 . . . . 74.2 110.204 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.619 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 115.1 39.0 0.98 Allowed Glycine 0 N--CA 1.434 -1.48 0 CA-C-N 115.272 -0.876 . . . . 54.05 111.802 -178.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.7 t -125.6 135.45 52.21 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.265 -0.574 . . . . 52.34 111.171 175.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.53 -7.55 9.66 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.49 0.662 . . . . 75.15 109.54 170.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.457 ' OD1' ' HA ' ' A' ' 55' ' ' HIS . 14.1 t70 -91.32 81.91 5.46 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 115.325 -0.852 . . . . 74.35 111.329 -172.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.685 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 11.4 p90 -166.51 155.54 10.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.016 -0.993 . . . . 75.12 110.366 176.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.54 178.29 48.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.079 -0.581 . . . . 71.33 111.649 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.8 p -106.66 149.09 27.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.852 0.358 . . . . 74.1 111.088 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.4 pttt . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 121.116 0.484 . . . . 74.54 110.221 173.233 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 110.113 -0.329 . . . . 74.31 110.113 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 4.1 m-30 -84.54 108.67 17.43 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.243 -0.435 . . . . 64.43 110.441 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.05 77.42 1.98 Allowed Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.358 -0.697 . . . . 44.34 111.358 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.44 ' CE2' HG22 ' A' ' 67' ' ' VAL . 6.2 m-85 -72.11 131.98 43.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.764 0.316 . . . . 74.41 110.307 177.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.499 ' HB3' HD13 ' A' ' 58' ' ' ILE . 3.7 m -144.22 147.2 33.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.578 -0.283 . . . . 65.1 110.304 177.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.719 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 26.7 t80 -104.51 123.27 47.2 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.597 -0.519 . . . . 75.03 109.597 175.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -96.94 139.34 33.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.351 -0.84 . . . . 73.43 111.308 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.685 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -147.58 106.22 3.81 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.633 -0.877 . . . . 75.2 108.633 177.63 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.457 ' HA ' ' OD1' ' A' ' 20' ' ' ASP . 9.9 m-70 63.31 25.46 14.69 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.36 0.413 . . . . 65.52 112.053 -175.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.12 2.31 89.41 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.335 -0.936 . . . . 44.22 112.202 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -99.11 171.37 8.06 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.162 -0.681 . . . . 71.25 109.162 175.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.499 HD13 ' HB3' ' A' ' 51' ' ' SER . 22.2 mm -108.74 115.31 49.06 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.803 -0.635 . . . . 74.11 110.34 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.519 HG12 ' HB2' ' A' ' 89' ' ' LEU . 74.8 t -96.19 -37.35 7.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.13 -0.941 . . . . 74.44 109.979 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -130.75 146.94 52.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.954 -0.567 . . . . 63.03 110.788 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -148.03 134.88 20.09 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.099 -0.704 . . . . 74.11 109.099 177.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -157.49 103.99 0.24 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.158 -0.544 . . . . 42.45 111.759 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.438 ' HB2' ' HE3' ' A' ' 63' ' ' LYS . 35.8 ttmt -103.68 122.46 45.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.895 0.379 . . . . 70.11 110.67 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.7 m -146.79 159.74 43.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.11 -0.495 . . . . 52.44 110.48 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -74.68 -18.17 60.56 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.507 0.67 . . . . 74.44 109.901 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -110.45 127.62 55.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.554 -0.748 . . . . 75.44 109.85 176.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.493 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 2.7 p -53.03 -41.73 42.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 O-C-N 123.563 0.539 . . . . 74.11 111.335 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.24 -49.2 78.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 71.32 111.713 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -67.99 -39.56 83.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.771 0.32 . . . . 73.55 110.403 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.85 -47.33 86.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.535 . . . . 61.32 110.914 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' A' ' 67' ' ' VAL . 54.4 mtmt -61.76 -40.52 95.44 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 115.841 -0.618 . . . . 73.33 110.056 176.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.496 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 6.1 t80 -56.06 -49.63 73.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.274 -0.875 . . . . 75.11 110.998 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.2 mt -60.1 -54.65 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.71 -0.677 . . . . 75.01 111.532 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 3.1 ptt? -61.03 -39.37 89.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.434 -0.348 . . . . 75.25 110.776 -177.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.553 ' HA ' HG23 ' A' ' 5' ' ' ILE . 62.6 mttm -60.35 -45.27 94.08 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 121.18 -0.208 . . . . 61.41 111.186 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 14.4 mm100 -61.72 -25.89 67.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.726 0.298 . . . . 71.12 111.178 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.497 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 3.2 mmp_? -62.36 -61.99 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.327 -0.397 . . . . 73.1 110.685 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.773 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -66.35 -33.83 76.61 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.585 -0.446 . . . . 74.31 110.377 178.792 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -51.48 -50.76 59.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.745 -0.661 . . . . 73.31 110.181 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.421 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 11.5 mmmt -67.03 -27.62 67.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.393 -0.367 . . . . 72.22 111.232 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 87.7 mt -72.96 -39.31 66.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.67 -0.241 . . . . 65.3 111.12 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.523 ' HA ' HD13 ' A' ' 90' ' ' LEU . 1.7 pp -82.97 -24.11 33.09 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.879 -0.329 . . . . 74.4 111.541 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -74.66 -47.01 34.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.155 0.503 . . . . 72.13 110.35 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -82.48 -15.36 52.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.866 -0.607 . . . . 71.52 110.228 -176.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? 63.07 60.74 1.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.077 -0.965 . . . . 73.12 109.779 -176.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.8 m -103.03 143.39 32.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.876 -1.057 . . . . 72.22 110.535 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -68.64 -12.63 61.6 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.723 0.638 . . . . 73.13 112.723 -171.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.457 ' H ' HD23 ' A' ' 88' ' ' LEU . 2.7 mm? -55.45 -37.61 67.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.711 0.291 . . . . 73.44 111.618 -174.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.773 HD23 ' HB3' ' A' ' 78' ' ' LEU . 24.6 tp -108.04 -27.48 10.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.429 0.633 . . . . 74.11 110.679 177.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' A' ' 82' ' ' LEU . 8.5 mt -104.75 18.97 21.3 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.502 -0.772 . . . . 74.21 112.7 -166.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -68.81 157.77 35.79 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 120.303 -0.559 . . . . 74.34 110.863 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 t -85.94 144.73 27.48 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.43 -0.804 . . . . 53.13 109.715 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 18.4 p -145.51 179.46 7.4 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.66 -0.7 . . . . 71.14 109.591 -176.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -113.57 73.1 0.8 Allowed 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.145 0.278 . . . . 64.01 110.546 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.619 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 58.3 m . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 121.52 0.676 . . . . 52.32 109.807 167.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.547 HG23 ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 121.257 0.551 . . . . 73.24 110.453 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -63.4 -38.44 91.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.396 -0.82 . . . . 62.43 110.271 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.717 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 85.5 m-70 -65.25 -42.35 93.38 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.675 -0.491 . . . . 61.12 109.675 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -61.14 -49.48 77.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.767 -0.651 . . . . 73.32 111.259 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.48 HG13 ' CE2' ' A' ' 52' ' ' PHE . 10.9 p -64.71 -34.19 68.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.029 -0.532 . . . . 74.22 111.117 -177.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.47 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 19.8 m-30 -67.6 -37.74 82.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.483 -0.562 . . . . 72.42 109.483 176.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.717 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 26.1 mm-40 -56.46 -52.51 64.42 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.491 -0.777 . . . . 74.03 112.075 -172.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.46 HD13 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -86.87 -39.28 15.97 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.022 -0.536 . . . . 75.44 111.853 -173.629 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.46 ' H ' HD13 ' A' ' 12' ' ' LEU . 17.3 mt -63.38 -42.22 98.83 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.281 0.474 . . . . 71.31 112.281 -177.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 61.8 pttt -62.92 -32.19 73.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.966 0.412 . . . . 73.1 110.028 176.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.53 -37.91 74.15 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.765 -0.652 . . . . 71.42 110.645 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -68.98 -9.14 50.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.49 -0.777 . . . . 73.2 111.111 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.523 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 93.68 38.53 5.22 Favored Glycine 0 N--CA 1.437 -1.268 0 C-N-CA 120.627 -0.796 . . . . 74.12 111.445 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 2.9 t -120.16 142.86 48.57 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.709 -0.396 . . . . 72.51 111.278 175.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.54 3.42 7.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.52 0.676 . . . . 73.32 109.198 168.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -102.98 84.41 2.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.082 -0.963 . . . . 74.14 110.584 -171.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.599 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 18.2 p90 -173.11 149.5 1.83 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.727 -0.669 . . . . 71.33 110.855 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.83 -168.22 35.84 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.605 -0.598 . . . . 73.23 111.605 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.3 p -123.02 147.38 46.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 117.117 0.458 . . . . 74.42 110.922 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.514 ' HG2' ' HB2' ' A' ' 51' ' ' SER . 39.8 pttt . . . . . 0 C--N 1.324 -0.529 0 N-CA-C 108.978 -0.749 . . . . 72.44 108.978 171.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 . . . . . 0 N--CA 1.45 -0.433 0 N-CA-C 109.965 -0.383 . . . . 74.22 109.965 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -87.83 117.09 26.44 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.296 -0.631 . . . . 72.52 109.296 173.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.01 84.72 1.36 Allowed Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 115.782 -0.645 . . . . 44.25 111.882 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.514 ' HB3' ' SD ' ' A' ' 74' ' ' MET . 14.3 m-85 -88.55 127.55 35.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.975 0.416 . . . . 62.34 110.068 176.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.514 ' HB2' ' HG2' ' A' ' 24' ' ' LYS . 7.3 m -152.37 144.92 24.15 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.607 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.587 ' CG ' HD22 ' A' ' 78' ' ' LEU . 42.4 t80 -99.83 122.78 43.3 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 116.275 -0.421 . . . . 64.42 109.885 175.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -96.96 136.6 37.3 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.012 -0.995 . . . . 73.51 110.933 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.599 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.7 OUTLIER -144.99 104.94 4.03 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.331 -0.989 . . . . 64.14 108.331 176.756 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 8.5 m-70 68.26 24.32 7.5 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.414 0.446 . . . . 63.45 111.358 -173.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.43 -5.35 81.32 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.466 -0.873 . . . . 74.24 112.059 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -89.84 174.07 7.9 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.441 -0.577 . . . . 74.12 109.441 175.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.501 HD12 ' HB3' ' A' ' 51' ' ' SER . 25.8 mm -113.26 111.58 36.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.877 -0.601 . . . . 75.14 110.538 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.515 HG12 ' HB2' ' A' ' 89' ' ' LEU . 93.1 t -91.84 -38.63 10.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-N 115.158 -0.928 . . . . 72.32 109.852 176.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -126.78 130.86 51.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.642 -0.708 . . . . 74.31 110.373 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.599 ' HE1' ' HE2' ' A' ' 63' ' ' LYS . 2.8 t80 -134.22 131.51 38.62 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.828 -0.434 . . . . 71.33 109.828 174.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.81 102.2 0.3 Allowed Glycine 0 N--CA 1.44 -1.046 0 N-CA-C 111.147 -0.781 . . . . 72.22 111.147 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.599 ' HE2' ' HE1' ' A' ' 61' ' ' TYR . 6.9 tppt? -101.84 118.47 37.0 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.81 -0.441 . . . . 73.42 109.81 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.495 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 69.8 m -153.16 151.73 30.46 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.367 -0.378 . . . . 62.31 110.915 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -65.82 -28.63 69.13 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.101 -0.703 . . . . 73.41 109.101 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.667 ' HD2' ' HB2' ' A' ' 69' ' ' ASN . 40.1 ttmt -91.97 125.06 36.52 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.065 -0.971 . . . . 75.23 110.28 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -57.07 -45.16 84.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.162 -0.472 . . . . 75.35 110.988 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.17 -36.74 77.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.064 -0.516 . . . . 61.33 112.012 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.667 ' HB2' ' HD2' ' A' ' 66' ' ' LYS . 7.3 t30 -69.71 -45.54 67.99 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.104 0.478 . . . . 63.04 109.927 -178.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -57.0 -47.38 80.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.181 -0.918 . . . . 38.23 110.605 177.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.41 ' HG2' ' HE2' ' A' ' 75' ' ' LYS . 24.5 ttpt -62.41 -40.2 95.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 113.907 -1.497 . . . . 75.52 110.247 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -58.11 -49.19 77.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.612 -0.722 . . . . 75.44 110.78 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.48 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 57.0 mt -58.03 -53.97 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.522 -0.763 . . . . 74.33 111.517 -177.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.514 ' SD ' ' HB3' ' A' ' 50' ' ' PHE . 2.5 ptt? -61.36 -39.27 89.99 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.875 -0.33 . . . . 73.44 110.698 -178.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.547 ' HA ' HG23 ' A' ' 5' ' ' ILE . 47.7 mttm -57.05 -47.63 80.47 Favored 'General case' 0 N--CA 1.458 -0.058 0 CA-C-O 120.526 0.203 . . . . 75.45 110.773 177.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -67.47 -15.48 63.69 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.451 -0.34 . . . . 75.11 111.803 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 36.0 mmt180 -67.61 -63.72 1.0 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.848 -0.427 . . . . 72.34 109.848 176.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.782 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -69.22 -31.53 70.17 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.529 -0.469 . . . . 74.11 110.331 -179.368 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -51.76 -50.48 60.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.135 0.493 . . . . 74.35 110.021 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.401 ' HB3' ' HE2' ' A' ' 80' ' ' LYS . 0.8 OUTLIER -68.45 -29.82 68.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.978 -0.555 . . . . 75.25 111.215 179.609 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.534 ' HG ' ' HB2' ' A' ' 86' ' ' SER . 5.3 mp -69.42 -33.28 72.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.331 -0.395 . . . . 43.22 111.928 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.474 HD23 HD13 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -87.31 -20.89 26.16 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.764 -0.374 . . . . 72.42 111.216 178.209 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -74.76 -47.88 28.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.252 0.549 . . . . 63.14 110.16 174.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -88.5 -14.76 37.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.395 -0.821 . . . . 64.44 110.546 -177.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 66.77 37.3 4.23 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.51 -0.768 . . . . 71.41 110.887 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.534 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 3.0 m -67.49 135.93 53.82 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.214 -0.903 . . . . 72.32 110.222 178.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -69.25 -5.71 24.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.652 -0.249 . . . . 63.31 111.61 -176.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.407 ' H ' HD22 ' A' ' 88' ' ' LEU . 2.7 mm? -59.92 -44.11 94.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.555 -0.293 . . . . 75.05 111.244 -177.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.782 HD23 ' HB3' ' A' ' 78' ' ' LEU . 19.4 tp -94.74 -28.54 15.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.506 0.669 . . . . 71.23 110.656 175.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.4 mt -104.57 22.76 14.43 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.274 -0.876 . . . . 72.12 113.136 -165.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -68.78 157.81 35.64 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 120.332 -0.547 . . . . 74.34 110.844 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.7 m -89.3 134.37 34.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.735 -0.666 . . . . 73.23 111.12 -176.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.8 p -128.3 -178.84 4.71 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.434 -0.803 . . . . 62.13 109.365 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -125.94 72.54 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.021 0.439 . . . . 73.54 110.681 176.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 17.3 m . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 121.038 0.447 . . . . 63.11 110.242 173.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 112.144 0.424 . . . . 75.23 112.144 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.485 ' HA ' HG11 ' A' ' 9' ' ' VAL . 38.6 mt-10 -72.72 -28.19 62.51 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 120.292 -0.563 . . . . 73.24 109.82 -174.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.725 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 32.8 m170 -64.49 -47.17 79.93 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.078 -0.712 . . . . 73.4 109.078 170.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -57.41 -50.52 72.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.597 -0.729 . . . . 71.22 111.432 -177.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.518 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 14.7 p -63.26 -32.73 57.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.004 -0.544 . . . . 74.4 111.421 -176.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.478 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 17.2 m-30 -70.49 -37.58 74.22 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 108.923 -0.769 . . . . 75.22 108.923 175.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.725 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 26.4 mm-40 -57.82 -45.93 85.44 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.619 -0.719 . . . . 64.01 111.81 -172.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.511 HD11 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -92.6 -44.48 8.58 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.314 -0.403 . . . . 75.32 111.979 -174.312 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.511 ' H ' HD11 ' A' ' 12' ' ' LEU . 21.0 mt -60.9 -43.96 97.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.22 0.452 . . . . 75.54 112.22 -175.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.611 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 59.9 pttt -63.65 -27.58 69.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.1 0.476 . . . . 63.11 110.325 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -75.94 -33.1 59.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.854 -0.612 . . . . 74.02 110.478 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 5.1 mt-30 -79.38 -0.29 32.17 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.455 -0.793 . . . . 73.14 111.183 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.535 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 90.52 36.68 6.83 Favored Glycine 0 N--CA 1.439 -1.131 0 C-N-CA 120.387 -0.911 . . . . 73.35 111.608 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.611 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 2.8 t -123.67 128.81 50.19 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 120.488 -0.485 . . . . 53.41 110.192 174.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.485 ' OE1' ' HB3' ' A' ' 95' ' ' CYS . 1.9 pm0 -121.95 3.88 9.94 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.324 0.583 . . . . 73.42 109.993 173.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.626 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 29.1 t0 -103.96 85.63 2.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.384 -0.825 . . . . 74.53 110.683 -174.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -167.41 167.35 13.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.151 -0.932 . . . . 74.51 110.441 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.5 176.0 39.06 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.155 -0.545 . . . . 74.23 112.067 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 p -114.15 139.93 48.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.967 0.383 . . . . 63.14 111.305 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.407 ' CD ' ' HE1' ' A' ' 53' ' ' PHE . 47.5 pttt . . . . . 0 C--N 1.323 -0.56 0 N-CA-C 109.898 -0.408 . . . . 71.14 109.898 173.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.477 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 4.4 m-85 . . . . . 0 N--CA 1.45 -0.441 0 CA-C-O 120.956 0.407 . . . . 72.45 110.57 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.478 ' HE2' ' HB ' ' A' ' 67' ' ' VAL . 14.6 m-30 -83.97 113.38 20.95 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.952 -0.758 . . . . 74.54 108.952 173.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.85 76.83 1.97 Allowed Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.793 -0.718 . . . . 53.53 111.68 177.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.485 ' CE2' HG22 ' A' ' 67' ' ' VAL . 5.8 m-85 -76.73 111.66 12.48 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.841 -0.429 . . . . 75.33 109.841 177.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.493 ' HB3' HD12 ' A' ' 58' ' ' ILE . 0.9 OUTLIER -131.34 141.31 49.89 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.267 -0.424 . . . . 73.11 110.978 -175.85 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.581 ' CG ' HD22 ' A' ' 78' ' ' LEU . 39.4 t80 -101.1 121.63 42.14 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 109.718 -0.475 . . . . 72.42 109.718 173.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 21.5 m-85 -99.55 135.54 40.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.236 -0.893 . . . . 75.3 112.026 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -134.24 117.52 16.56 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.353 -0.98 . . . . 75.51 108.353 165.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.626 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 16.1 m-70 64.1 22.26 12.84 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.844 0.354 . . . . 74.14 111.911 -177.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.64 2.25 88.85 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.441 -0.885 . . . . 37.08 112.128 -177.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.463 ' O ' ' HA ' ' A' ' 53' ' ' PHE . 26.7 m-80 -95.79 169.49 9.97 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 109.809 -0.441 . . . . 75.12 109.809 176.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.493 HD12 ' HB3' ' A' ' 51' ' ' SER . 25.9 mm -107.51 110.65 32.62 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-N 115.653 -0.703 . . . . 75.11 110.526 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.526 HG13 ' HB2' ' A' ' 89' ' ' LEU . 87.8 t -90.99 -35.17 6.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 CA-C-N 115.13 -0.941 . . . . 75.33 109.556 176.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -138.83 140.21 38.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.696 -0.684 . . . . 74.32 110.971 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.401 ' HE1' ' HB2' ' A' ' 63' ' ' LYS . 2.3 t80 -143.51 125.58 15.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.869 0.366 . . . . 73.32 110.053 173.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.22 104.55 0.67 Allowed Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.688 -0.687 . . . . 72.31 111.558 176.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.477 ' HG3' ' HB3' ' A' ' 47' ' ' TYR . 3.0 tppp? -96.16 118.4 32.66 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.651 0.262 . . . . 74.13 110.669 -178.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.516 ' HB2' ' HB1' ' A' ' 70' ' ' ALA . 56.5 m -156.59 152.47 27.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.548 -0.296 . . . . 72.32 110.771 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -71.41 -28.64 64.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.731 -0.841 . . . . 71.34 108.731 176.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.54 ' HD2' ' HB2' ' A' ' 69' ' ' ASN . 22.7 ttmm -89.34 123.73 33.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.783 -1.099 . . . . 73.22 109.86 178.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.488 HG23 ' HE2' ' A' ' 71' ' ' LYS . 6.1 p -56.6 -44.35 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 123.38 0.425 . . . . 73.33 110.928 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.18 -37.61 88.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 74.32 111.55 -178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.54 ' HB2' ' HD2' ' A' ' 66' ' ' LYS . 5.6 t30 -73.58 -43.68 59.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.755 -0.461 . . . . 74.43 109.755 -178.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.516 ' HB1' ' HB2' ' A' ' 64' ' ' SER . . . -61.29 -49.43 77.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.523 -0.762 . . . . 72.51 111.096 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.488 ' HE2' HG23 ' A' ' 67' ' ' VAL . 54.3 mtmt -55.77 -44.91 78.12 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 115.93 -0.577 . . . . 72.11 110.275 176.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.408 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 33.3 t80 -56.01 -49.89 72.4 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.139 -0.937 . . . . 72.23 111.202 -175.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.4 mt -57.82 -55.25 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.663 -0.699 . . . . 74.01 111.751 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.485 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.7 ptt? -62.66 -38.98 92.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.531 -0.304 . . . . 74.33 110.69 -178.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.587 ' O ' HG13 ' A' ' 5' ' ' ILE . 62.6 mttm -62.67 -42.58 99.7 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.67 -0.241 . . . . 74.11 111.193 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 30.4 mm-40 -62.12 -25.88 67.98 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.606 0.241 . . . . 72.54 111.243 177.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.543 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 16.0 mmm180 -62.22 -66.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 73.41 110.701 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.826 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -66.02 -30.51 71.06 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.225 -0.59 . . . . 72.13 110.836 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -53.4 -46.12 69.58 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.259 0.552 . . . . 72.21 109.825 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.82 -26.49 59.75 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.809 -0.632 . . . . 62.44 111.128 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 92.3 mt -73.22 -34.24 65.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.574 -0.285 . . . . 75.11 111.295 -178.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.463 HD21 HD11 ' A' ' 5' ' ' ILE . 1.4 pp -83.5 -21.18 32.87 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.805 -0.358 . . . . 73.01 111.013 177.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -83.44 -37.28 23.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 71.32 110.995 176.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -91.08 -11.35 38.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.177 0.513 . . . . 74.1 110.125 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 64.19 35.61 10.06 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.216 -0.902 . . . . 75.53 111.255 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.6 m -72.29 135.99 46.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.527 -0.761 . . . . 70.53 110.493 178.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -69.57 -1.71 9.51 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.205 0.446 . . . . 74.44 112.205 -175.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.24 -38.79 92.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.598 0.237 . . . . 72.31 111.201 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.826 HD23 ' HB3' ' A' ' 78' ' ' LEU . 18.9 tp -103.98 -15.78 15.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.263 0.554 . . . . 73.33 110.492 177.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.8 mt -115.78 21.02 14.21 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.759 -0.655 . . . . 73.41 112.764 -168.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -67.37 163.97 19.6 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.26 0.552 . . . . 53.25 112.098 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.6 m -81.23 140.36 34.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.411 -0.813 . . . . 43.02 111.325 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.1 p -149.52 165.91 30.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.924 -0.58 . . . . 74.41 109.457 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -115.17 83.54 1.93 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.172 0.511 . . . . 74.13 110.263 174.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 10.2 m . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 116.088 -0.505 . . . . 62.11 110.252 169.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.485 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 121.107 0.48 . . . . 74.41 110.727 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -68.27 -42.27 79.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.066 -0.515 . . . . 75.33 110.093 -177.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.623 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 17.1 t-80 -57.78 -40.92 80.97 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.452 -0.574 . . . . 73.14 109.452 175.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 67.4 mmtt -59.68 -52.34 65.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 73.42 110.741 178.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.771 HG12 ' CZ ' ' A' ' 52' ' ' PHE . 46.6 t -55.7 -43.85 74.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.145 -0.48 . . . . 72.4 110.561 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.417 ' CD1' ' HE1' ' A' ' 21' ' ' PHE . 13.4 m-30 -63.11 -48.47 78.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.062 -0.517 . . . . 73.14 109.634 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 20.4 mm-40 -50.66 -47.35 58.73 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 113.032 0.753 . . . . 64.13 113.032 -173.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.499 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -89.29 -45.72 9.3 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.713 -0.395 . . . . 73.54 111.711 -175.764 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.499 ' H ' HD12 ' A' ' 12' ' ' LEU . 20.1 mt -61.78 -44.67 96.41 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.274 0.472 . . . . 71.41 112.274 -175.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -63.31 -28.71 70.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.142 0.496 . . . . 75.44 110.096 178.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -75.84 -33.87 60.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.816 -0.629 . . . . 62.33 110.361 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 6.8 mt-30 -75.98 -3.1 33.74 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.479 -0.782 . . . . 73.44 109.934 176.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.705 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 87.13 45.83 5.23 Favored Glycine 0 N--CA 1.43 -1.731 0 C-N-CA 120.598 -0.81 . . . . 60.01 111.338 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 4.6 t -123.71 135.4 53.84 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 119.832 -0.747 . . . . 72.51 111.241 172.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.463 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -123.76 -4.04 8.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.352 0.596 . . . . 74.33 109.689 170.101 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -93.71 82.3 4.32 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.393 -0.821 . . . . 63.13 110.899 -175.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.417 ' HE1' ' CD1' ' A' ' 10' ' ' TYR . 20.4 p90 -169.48 162.13 10.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.989 -1.005 . . . . 73.34 110.32 176.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.64 167.63 33.6 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.99 -0.624 . . . . 55.42 112.135 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.1 p -95.26 150.17 20.53 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.592 0.234 . . . . 70.13 111.358 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.413 0 N-CA-C 109.628 -0.508 . . . . 72.01 109.628 171.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 . . . . . 0 N--CA 1.448 -0.54 0 CA-C-O 121.013 0.435 . . . . 74.23 110.293 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.61 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 3.4 m-30 -78.27 103.3 8.12 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.693 -0.685 . . . . 73.43 109.8 175.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.71 76.64 1.98 Allowed Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.887 -0.597 . . . . 55.43 111.962 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.527 ' HB3' ' SD ' ' A' ' 74' ' ' MET . 6.4 m-85 -73.75 119.03 17.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.942 0.401 . . . . 65.41 110.004 177.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.505 ' HB3' HD13 ' A' ' 58' ' ' ILE . 1.3 m -135.29 143.99 46.54 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.99 -0.55 . . . . 75.51 110.505 -176.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.771 ' CZ ' HG12 ' A' ' 9' ' ' VAL . 22.6 t80 -106.41 123.64 48.37 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.799 -0.445 . . . . 73.12 109.799 173.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 7.3 m-85 -99.92 134.69 42.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.469 -0.787 . . . . 62.21 111.624 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.406 ' HG3' ' HB3' ' A' ' 21' ' ' PHE . 60.1 ttt180 -134.95 119.19 17.71 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.777 -0.823 . . . . 75.42 108.777 167.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 59.53 19.42 7.9 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.589 0.588 . . . . 74.12 112.589 -179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.12 -4.3 62.57 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.458 -0.877 . . . . 73.35 112.884 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 53' ' ' PHE . 29.6 m-80 -98.11 171.66 8.1 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.048 0.452 . . . . 75.01 110.149 178.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.505 HD13 ' HB3' ' A' ' 51' ' ' SER . 23.8 mm -104.87 109.73 28.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.324 -0.853 . . . . 64.54 110.012 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.504 HG13 ' HB2' ' A' ' 89' ' ' LEU . 88.7 t -88.14 -36.12 8.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 115.058 -0.973 . . . . 73.45 109.622 177.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.448 ' HB1' ' HG ' ' A' ' 78' ' ' LEU . . . -136.75 138.22 40.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.566 -0.743 . . . . 71.23 110.695 178.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -141.88 133.52 26.94 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.9 0.381 . . . . 73.35 110.087 173.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.452 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -156.77 104.63 0.26 Allowed Glycine 0 N--CA 1.438 -1.19 0 N-CA-C 111.119 -0.793 . . . . 54.02 111.119 175.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.61 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 20.0 pttm -101.15 151.91 21.27 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.363 -0.535 . . . . 73.5 109.564 176.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.8 t -165.73 162.42 18.65 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.697 -0.683 . . . . 54.33 109.67 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -68.11 -23.18 64.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.862 0.363 . . . . 74.35 110.348 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -108.44 139.26 43.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.97 -0.559 . . . . 73.2 110.843 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.446 HG21 ' HE2' ' A' ' 71' ' ' LYS . 3.0 p -60.5 -43.53 94.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.814 -0.63 . . . . 72.44 111.123 177.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.478 ' HA ' ' CE ' ' A' ' 71' ' ' LYS . . . -62.57 -43.6 98.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.602 -0.272 . . . . 72.44 111.729 -177.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -68.85 -46.2 69.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.312 -0.404 . . . . 72.21 110.376 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.1 -46.76 82.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.888 -0.596 . . . . 73.0 111.062 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.478 ' CE ' ' HA ' ' A' ' 68' ' ' ALA . 55.5 mtmt -55.42 -47.33 76.12 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.288 0.566 . . . . 73.11 110.223 174.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -55.22 -48.52 73.78 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.831 -1.077 . . . . 73.14 111.106 -174.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.487 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 37.6 mt -58.75 -54.71 29.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.758 -0.655 . . . . 74.34 111.626 -177.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.527 ' SD ' ' HB3' ' A' ' 50' ' ' PHE . 2.5 ptt? -64.44 -39.15 93.27 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.905 -0.318 . . . . 75.54 110.66 -176.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.491 ' N ' ' HG3' ' A' ' 74' ' ' MET . 60.2 mttm -61.18 -45.22 95.5 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.199 -0.2 . . . . 73.44 110.982 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -64.14 -20.27 65.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.57 -0.286 . . . . 73.15 111.271 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 37.6 mmt180 -66.56 -66.72 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.669 -0.241 . . . . 75.54 110.388 177.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.661 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -61.29 -33.67 73.94 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.546 -0.461 . . . . 73.23 110.221 178.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -52.64 -49.93 64.18 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.194 -0.457 . . . . 73.04 109.95 177.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -67.83 -28.56 67.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.356 -0.384 . . . . 72.32 110.937 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 93.1 mt -71.87 -38.08 70.09 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.634 -0.257 . . . . 64.11 111.048 -178.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.448 HD23 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -80.64 -24.29 39.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.701 0.286 . . . . 74.1 110.839 176.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.96 -41.34 59.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.277 0.56 . . . . 54.34 111.036 175.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -88.79 -22.35 23.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.624 -0.716 . . . . 60.24 109.969 -175.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 66.64 56.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.364 -0.835 . . . . 72.34 109.902 -174.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.2 m -98.99 145.0 27.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.903 -1.044 . . . . 75.1 110.5 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -66.55 -11.43 52.95 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.718 0.636 . . . . 74.43 112.718 -173.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.483 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.8 mm? -56.57 -38.62 72.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.654 0.242 . . . . 74.31 111.654 -175.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.661 HD23 ' HB3' ' A' ' 78' ' ' LEU . 18.6 tp -109.74 -24.88 10.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.103 0.478 . . . . 74.05 111.069 177.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 mt -108.36 19.74 19.47 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 112.872 0.693 . . . . 72.31 112.872 -168.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -67.68 159.9 29.12 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.05 0.452 . . . . 75.21 111.183 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.7 m -77.98 134.22 37.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.58 -0.736 . . . . 62.33 110.358 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.2 p -137.58 171.23 14.76 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.204 -0.453 . . . . 64.51 109.936 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -111.76 75.05 0.9 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.883 -0.327 . . . . 73.41 111.264 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.705 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 74.3 m . . . . . 0 N--CA 1.452 -0.348 0 C-N-CA 120.068 -0.653 . . . . 75.31 109.817 165.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.434 HG23 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.998 0.428 . . . . 75.23 110.72 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -67.82 -42.38 81.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.123 -0.49 . . . . 72.04 109.759 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.681 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 2.5 m80 -53.92 -48.29 70.32 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.82 -0.627 . . . . 74.14 110.298 173.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -53.67 -53.59 49.78 Favored 'General case' 0 N--CA 1.463 0.21 0 O-C-N 123.687 0.617 . . . . 74.55 111.289 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.743 HG12 ' CZ ' ' A' ' 52' ' ' PHE . 50.4 t -54.44 -43.05 61.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 75.53 110.914 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -70.48 -38.35 74.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.192 -0.458 . . . . 73.34 109.894 -177.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.681 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 20.0 mm-40 -55.08 -48.34 73.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.018 -0.537 . . . . 71.43 111.783 -174.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.558 HD11 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -92.56 -46.2 7.74 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.274 0.472 . . . . 74.31 112.274 -173.402 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.558 ' H ' HD11 ' A' ' 12' ' ' LEU . 22.7 mt -62.78 -44.0 97.34 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.562 0.579 . . . . 74.41 112.562 -174.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.656 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 13.4 pttm -66.49 -23.09 66.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.938 0.399 . . . . 75.53 110.118 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -82.84 -35.92 25.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.754 -0.657 . . . . 61.32 110.615 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -66.77 -38.62 86.92 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.362 0.601 . . . . 74.11 109.935 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.496 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 133.46 39.17 0.21 Allowed Glycine 0 N--CA 1.441 -1.003 0 CA-C-N 115.169 -0.923 . . . . 62.22 112.255 -177.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.656 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 2.9 t -127.78 134.69 49.5 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.385 -0.526 . . . . 73.33 110.908 173.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.45 1.92 9.6 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.479 0.657 . . . . 73.02 109.433 170.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.422 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 21.8 t0 -103.18 83.08 2.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.317 -0.856 . . . . 73.14 110.961 -171.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.466 ' HE2' ' HB3' ' A' ' 18' ' ' CYS . 11.2 p90 -169.09 161.82 10.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.42 -0.809 . . . . 72.1 110.393 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.8 171.74 37.12 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.75 -0.54 . . . . 75.44 111.75 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.2 p -95.24 150.98 19.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.062 0.458 . . . . 71.13 111.522 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.584 ' HE3' ' OG ' ' A' ' 51' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.71 0 N-CA-C 109.198 -0.667 . . . . 73.23 109.198 171.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 . . . . . 0 N--CA 1.442 -0.866 0 N-CA-C 109.613 -0.514 . . . . 73.23 109.613 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -73.16 108.41 6.03 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.23 -0.441 . . . . 74.12 109.941 177.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.05 76.53 1.76 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.838 -0.696 . . . . 71.12 111.637 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.66 ' CE1' HG23 ' A' ' 67' ' ' VAL . 1.5 m-85 -78.67 124.76 28.52 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.016 0.436 . . . . 72.23 110.063 177.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.584 ' OG ' ' HE3' ' A' ' 24' ' ' LYS . 2.8 m -150.51 154.83 38.33 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.313 -0.403 . . . . 73.53 110.733 -178.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.743 ' CZ ' HG12 ' A' ' 9' ' ' VAL . 27.1 t80 -112.44 123.94 51.4 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.273 -0.64 . . . . 74.41 109.273 172.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.518 ' CE2' ' HG2' ' A' ' 24' ' ' LYS . 3.4 m-85 -99.49 140.59 33.45 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.406 -0.815 . . . . 72.42 111.646 -177.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -143.57 117.22 9.22 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.409 -0.814 . . . . 75.24 108.828 168.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.422 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 16.5 m-70 62.92 21.2 12.72 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.081 0.4 . . . . 73.2 112.081 -178.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.46 7.6 84.44 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.231 -0.985 . . . . 63.25 112.41 -177.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -101.66 175.19 5.64 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 109.455 -0.572 . . . . 74.44 109.455 174.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.474 HD13 ' HB3' ' A' ' 51' ' ' SER . 23.2 mm -113.07 114.92 48.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.398 0.618 . . . . 72.3 110.422 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 89' ' ' LEU . 96.3 t -93.33 -34.87 6.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 115.15 -0.932 . . . . 75.42 109.429 175.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.536 ' HB1' ' HG ' ' A' ' 78' ' ' LEU . . . -133.25 135.16 44.78 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.402 -0.817 . . . . 71.12 110.369 179.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.454 ' HD1' ' OG ' ' A' ' 51' ' ' SER . 65.3 t80 -142.0 128.08 19.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.836 0.35 . . . . 75.35 110.156 175.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.476 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -148.57 99.89 0.2 Allowed Glycine 0 N--CA 1.44 -1.079 0 N-CA-C 111.028 -0.829 . . . . 64.41 111.028 177.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.603 ' HB3' ' HZ2' ' A' ' 63' ' ' LYS . 8.2 ttpm? -96.5 122.77 39.76 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.823 0.344 . . . . 72.31 110.403 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.441 ' HB2' ' HB1' ' A' ' 70' ' ' ALA . 57.4 m -152.08 158.2 42.67 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.351 -0.386 . . . . 71.31 110.544 178.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -69.39 -29.49 67.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.982 0.42 . . . . 73.02 110.434 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.484 ' HZ3' ' HB2' ' A' ' 66' ' ' LYS . 2.2 ttmp? -104.26 129.1 52.09 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.248 -0.433 . . . . 74.41 110.264 177.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.66 HG23 ' CE1' ' A' ' 50' ' ' PHE . 2.2 p -52.46 -47.39 47.57 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 115.659 -0.7 . . . . 72.22 111.869 -177.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.46 -40.56 75.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.406 0.521 . . . . 72.43 112.406 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -73.41 -46.84 46.31 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.123 0.487 . . . . 74.14 110.036 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.441 ' HB1' ' HB2' ' A' ' 64' ' ' SER . . . -56.99 -47.04 81.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.326 -0.852 . . . . 74.32 110.759 178.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.407 ' HG2' ' HE2' ' A' ' 75' ' ' LYS . 30.1 ttpt -64.53 -37.66 88.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.323 -1.308 . . . . 75.12 110.151 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -58.8 -49.73 76.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.269 -0.878 . . . . 74.11 110.876 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.522 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 34.8 mt -59.31 -49.78 82.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.829 -0.623 . . . . 62.23 110.565 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 59.0 ttp -52.38 -53.75 40.77 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.579 -0.737 . . . . 75.33 110.998 177.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.434 ' HA ' HG23 ' A' ' 5' ' ' ILE . 50.9 mttm -59.55 -48.24 82.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.653 -0.703 . . . . 65.04 111.464 -177.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -59.61 -25.68 64.83 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.765 0.283 . . . . 71.52 111.765 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.536 ' NE ' ' HA ' ' A' ' 77' ' ' ARG . 3.2 mmp_? -63.26 -66.05 0.6 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.691 -0.231 . . . . 71.11 110.954 177.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.553 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -68.39 -32.9 73.29 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 119.868 -0.733 . . . . 75.52 110.611 -178.164 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -50.86 -48.36 60.18 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.422 -0.585 . . . . 71.35 109.422 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -66.92 -34.27 77.4 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.806 -0.634 . . . . 72.52 111.226 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.53 ' HG ' ' HB2' ' A' ' 86' ' ' SER . 4.8 mp -68.54 -35.25 77.18 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.278 -0.419 . . . . 62.14 111.933 -177.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.424 HD23 ' CD1' ' A' ' 5' ' ' ILE . 0.9 OUTLIER -87.37 -21.38 25.69 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.846 -0.341 . . . . 74.32 111.516 179.324 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -80.71 -48.79 12.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.278 0.561 . . . . 73.24 110.547 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 85' ' ' LYS . 9.4 t70 -79.04 -21.08 47.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.663 -0.699 . . . . 74.35 110.275 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 84' ' ' ASP . 13.7 mmmm 72.46 38.71 0.79 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.141 -0.936 . . . . 72.0 110.911 -178.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.53 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 5.6 m -71.5 128.18 34.99 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.24 -0.891 . . . . 61.2 109.721 175.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -67.83 1.23 2.7 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.607 0.595 . . . . 74.53 112.607 -174.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.86 -39.51 87.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.738 0.304 . . . . 71.0 110.962 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.553 HD23 ' HB3' ' A' ' 78' ' ' LEU . 14.3 tp -94.69 -19.7 20.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.014 0.435 . . . . 72.44 110.759 175.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.3 mt -111.96 17.63 19.52 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 113.44 0.904 . . . . 72.25 113.44 -166.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -65.77 162.21 19.2 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.12 0.486 . . . . 75.5 111.718 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.5 m -87.92 145.71 25.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.65 -0.704 . . . . 72.23 111.354 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.1 p -150.94 162.24 41.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.515 -0.766 . . . . 74.41 109.062 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -105.15 73.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.55 0.214 . . . . 71.45 111.256 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 11.7 m . . . . . 0 C--N 1.331 -0.207 0 C-N-CA 120.283 -0.567 . . . . 73.14 110.088 170.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.567 HG23 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.447 -0.582 0 CA-C-O 121.309 0.576 . . . . 71.15 110.422 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mp0 -64.75 -37.07 86.36 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.309 -0.859 . . . . 71.5 110.031 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.737 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 29.6 m170 -67.97 -42.69 80.46 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.506 -0.478 . . . . 74.34 109.978 175.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -58.79 -48.84 79.85 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 123.339 0.399 . . . . 75.25 110.617 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.41 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 10.4 p -65.57 -35.13 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.906 -0.588 . . . . 74.32 111.034 -177.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.444 ' CD1' ' HE1' ' A' ' 21' ' ' PHE . 15.3 m-30 -70.04 -33.42 71.94 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 109.771 -0.455 . . . . 74.42 109.771 177.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.737 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 27.0 mm-40 -56.3 -60.18 3.87 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.967 -0.56 . . . . 75.5 111.792 -175.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.459 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -82.44 -35.81 27.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.453 -0.794 . . . . 65.44 112.101 -172.475 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.459 ' H ' HD12 ' A' ' 12' ' ' LEU . 21.1 mt -63.26 -47.32 82.88 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.634 -0.426 . . . . 72.12 111.828 -179.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -65.25 -24.42 67.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.222 0.534 . . . . 53.13 109.926 178.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' A' ' 12' ' ' LEU . 31.6 t70 -73.05 -46.5 51.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.507 -0.769 . . . . 74.21 110.718 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -65.22 -33.67 76.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.729 -0.669 . . . . 70.22 110.015 178.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.579 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 121.27 36.2 0.76 Allowed Glycine 0 N--CA 1.439 -1.12 0 CA-C-N 115.312 -0.858 . . . . 65.04 112.005 -179.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 13' ' ' LEU . 4.0 t -110.0 145.42 37.01 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.43 -0.508 . . . . 74.31 110.794 174.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -133.5 -5.69 2.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.562 0.696 . . . . 70.13 110.116 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.477 ' OD1' ' HA ' ' A' ' 55' ' ' HIS . 14.0 t70 -106.16 88.28 2.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.625 -0.716 . . . . 64.51 110.41 -172.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.444 ' HE1' ' CD1' ' A' ' 10' ' ' TYR . 10.0 p90 -168.06 147.26 4.66 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.126 -0.943 . . . . 72.32 110.406 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.39 -171.74 34.56 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.712 -0.555 . . . . 73.24 111.712 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.2 p -126.21 147.07 49.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.839 0.32 . . . . 74.42 111.066 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.52 ' HG2' ' HB3' ' A' ' 51' ' ' SER . 41.0 pttt . . . . . 0 C--N 1.327 -0.405 0 CA-C-O 121.02 0.438 . . . . 73.51 109.932 173.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 . . . . . 0 N--CA 1.447 -0.584 0 N-CA-C 109.854 -0.424 . . . . 63.14 109.854 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -87.69 117.12 26.29 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 109.572 -0.529 . . . . 72.11 109.572 173.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.98 82.71 1.09 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 121.007 -0.616 . . . . 72.25 111.641 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -78.58 139.24 38.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.668 0.271 . . . . 71.33 110.49 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.687 ' OG ' HD13 ' A' ' 58' ' ' ILE . 8.9 t -161.71 140.44 9.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.352 -0.386 . . . . 53.44 110.753 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.554 ' CG ' HD21 ' A' ' 78' ' ' LEU . 52.3 t80 -98.23 124.08 42.64 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 109.704 -0.48 . . . . 75.23 109.704 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -95.02 138.1 33.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.269 -0.878 . . . . 71.42 111.73 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.459 ' HB3' HG23 ' A' ' 59' ' ' VAL . 14.2 tpt180 -141.74 104.63 4.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.124 -0.944 . . . . 65.12 109.627 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.477 ' HA ' ' OD1' ' A' ' 20' ' ' ASP . 6.0 m-70 59.36 29.76 19.37 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.965 0.412 . . . . 61.34 111.163 -178.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.49 -3.37 86.62 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.73 -0.747 . . . . 71.3 112.41 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -97.58 175.7 6.11 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 109.273 -0.64 . . . . 75.31 109.273 177.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.687 HD13 ' OG ' ' A' ' 51' ' ' SER . 30.8 mm -116.37 121.28 67.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-O 121.403 0.62 . . . . 75.31 110.779 -178.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.503 HG12 HD13 ' A' ' 89' ' ' LEU . 89.6 t -101.68 -39.58 6.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.094 -0.957 . . . . 74.14 109.854 177.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.427 ' HB3' ' CB ' ' A' ' 52' ' ' PHE . . . -123.92 139.77 53.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.764 -0.653 . . . . 74.02 110.491 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -148.43 136.21 20.78 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.524 -0.547 . . . . 74.12 109.524 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -151.49 105.34 0.28 Allowed Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.607 -0.597 . . . . 64.11 111.607 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -93.56 120.6 34.03 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.888 -0.412 . . . . 73.24 109.888 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.536 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 62.2 m -150.57 155.05 38.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.207 0.527 . . . . 72.44 111.939 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -67.97 -23.61 65.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.445 -0.798 . . . . 65.45 110.533 175.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -105.14 126.83 52.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.62 -0.718 . . . . 63.45 110.576 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.473 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 7.2 p -56.76 -38.76 59.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 115.902 -0.59 . . . . 70.23 111.032 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.553 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . . . -70.25 -42.32 72.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.35 -0.386 . . . . 75.21 111.779 178.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -64.91 -45.82 84.29 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.989 0.423 . . . . 70.13 110.346 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.536 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -58.94 -43.54 91.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.969 0.89 . . . . 62.22 110.34 177.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.553 ' HE3' ' HA ' ' A' ' 68' ' ' ALA . 19.4 ttpp -62.43 -40.6 97.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.054 -1.43 . . . . 73.53 110.201 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -59.27 -48.81 80.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.993 -1.003 . . . . 71.11 110.837 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.0 mt -60.02 -49.73 82.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.865 -0.607 . . . . 72.01 110.897 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.497 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 56.0 ttp -50.93 -51.5 51.62 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.764 -0.653 . . . . 74.43 110.716 175.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.567 ' HA ' HG23 ' A' ' 5' ' ' ILE . 44.2 mttm -58.7 -49.19 78.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.604 -0.725 . . . . 73.52 111.539 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -59.2 -27.49 65.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.515 -0.311 . . . . 75.13 111.673 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.497 ' HB2' ' O ' ' A' ' 74' ' ' MET . 23.9 mmm180 -58.76 -66.29 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.425 -0.352 . . . . 74.23 111.1 176.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.729 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -67.01 -31.89 72.74 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 120.204 -0.598 . . . . 74.25 110.147 -179.269 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -51.31 -48.08 62.42 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.865 -0.607 . . . . 62.32 110.561 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -70.38 -32.47 70.15 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.866 -0.334 . . . . 71.14 110.906 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.557 HD21 ' CB ' ' A' ' 89' ' ' LEU . 4.1 mp -64.85 -43.59 92.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.719 -0.219 . . . . 74.43 111.552 -178.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.486 ' HA ' HD13 ' A' ' 90' ' ' LEU . 1.2 pp -78.62 -19.21 53.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.814 0.34 . . . . 72.14 111.563 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -84.89 -41.3 16.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.032 0.444 . . . . 75.11 111.036 176.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.12 -11.87 48.79 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.685 -0.689 . . . . 75.21 110.132 -176.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp 64.07 39.04 8.07 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.545 -0.752 . . . . 74.32 111.505 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.4 m -79.72 134.56 36.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.331 -0.85 . . . . 75.02 109.888 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.436 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 3.9 p-10 -74.07 5.17 4.56 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.192 0.442 . . . . 72.21 112.192 -172.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.86 -43.86 87.16 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 121.12 -0.232 . . . . 75.42 111.044 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.729 HD23 ' HB3' ' A' ' 78' ' ' LEU . 12.8 tp -100.46 -15.47 17.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.482 0.658 . . . . 73.4 110.774 174.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 82' ' ' LEU . 13.9 mt -110.36 25.92 11.25 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 113.148 0.796 . . . . 74.2 113.148 -170.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.436 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 27.8 p90 -79.56 159.55 26.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.939 0.4 . . . . 74.33 111.41 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.2 p -88.69 147.14 24.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.954 -0.566 . . . . 63.02 110.431 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 22.1 p -141.37 -173.0 3.63 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.937 -0.574 . . . . 64.14 110.086 -175.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -112.95 65.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.589 0.233 . . . . 75.2 111.255 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.579 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 13.5 m . . . . . 0 N--CA 1.466 0.357 0 O-C-N 121.977 -0.452 . . . . 74.51 110.718 172.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.526 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER . . . . . 0 CA--C 1.537 0.443 0 CA-C-O 120.623 0.249 . . . . 73.43 110.552 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -64.93 -33.85 77.02 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.145 0.497 . . . . 71.34 109.981 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.585 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 6.5 t-160 -63.09 -46.29 88.08 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.122 -0.695 . . . . 74.41 109.122 176.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.497 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 59.5 mmtt -61.58 -52.23 65.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.624 -0.716 . . . . 64.31 111.246 -175.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.612 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 3.7 p -61.76 -41.14 89.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 73.23 111.89 -175.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.402 ' CD1' HG12 ' A' ' 9' ' ' VAL . 12.3 m-30 -71.5 -27.63 63.35 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.571 -0.452 . . . . 73.32 110.067 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 16.5 mm-40 -57.3 -54.46 46.53 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.866 -0.607 . . . . 71.45 111.312 -177.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.624 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -85.54 -41.43 15.3 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.671 -0.695 . . . . 73.14 111.108 -175.614 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.805 HD22 ' CD2' ' A' ' 21' ' ' PHE . 2.9 mp -51.84 -45.78 64.12 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.136 0.791 . . . . 71.12 113.136 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 18.2 pttm -66.16 -29.27 69.53 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.97 -0.381 . . . . 74.31 109.97 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -73.57 -41.67 62.62 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.399 0.619 . . . . 65.34 110.442 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.624 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 21.7 mt-30 -64.1 -9.55 17.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.999 -1.0 . . . . 74.52 110.784 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.649 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 92.47 33.65 7.44 Favored Glycine 0 N--CA 1.433 -1.514 0 CA-C-N 115.55 -0.75 . . . . 55.22 111.778 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.534 ' HB3' ' HE2' ' A' ' 21' ' ' PHE . 2.3 t -115.7 139.95 49.66 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 120.164 -0.614 . . . . 61.14 111.174 173.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.404 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -120.92 -8.69 9.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.154 0.502 . . . . 74.11 109.994 168.862 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.58 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 21.6 t0 -93.1 88.35 6.06 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.489 -0.778 . . . . 43.02 111.235 -173.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.805 ' CD2' HD22 ' A' ' 13' ' ' LEU . 6.2 p90 -168.1 165.49 13.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.776 -1.102 . . . . 73.15 111.122 177.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.65 -179.38 42.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.221 -0.514 . . . . 71.41 112.21 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.1 p -112.76 134.58 54.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.785 0.292 . . . . 65.31 110.949 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 109.876 -0.416 . . . . 73.53 109.876 177.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 . . . . . 0 N--CA 1.446 -0.637 0 CA-C-O 120.919 0.39 . . . . 73.24 110.463 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.522 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 4.9 m-30 -71.19 108.52 4.73 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.794 -0.639 . . . . 74.5 109.722 176.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.63 83.77 1.23 Allowed Glycine 0 N--CA 1.441 -0.971 0 C-N-CA 120.846 -0.693 . . . . 74.23 111.585 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.459 ' CE2' HG22 ' A' ' 67' ' ' VAL . 4.6 m-85 -86.38 131.07 34.29 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.007 0.432 . . . . 73.51 109.842 175.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.515 ' HB3' HD13 ' A' ' 58' ' ' ILE . 11.7 m -153.29 152.4 31.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.181 -0.463 . . . . 64.03 110.233 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.582 ' CG ' HD23 ' A' ' 78' ' ' LEU . 30.7 t80 -107.85 126.9 53.22 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.721 -0.474 . . . . 75.32 109.721 175.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -99.2 135.71 40.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.539 -0.755 . . . . 74.4 111.663 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.464 HH21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -140.81 104.52 4.71 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.331 -0.988 . . . . 74.33 108.331 175.78 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.58 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 10.6 m-70 63.79 33.35 12.88 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.156 -0.475 . . . . 73.43 111.689 -173.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.44 -4.96 57.87 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.572 -0.823 . . . . 75.22 112.416 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -88.71 173.38 8.62 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 109.484 -0.561 . . . . 72.23 109.484 176.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.515 HD13 ' HB3' ' A' ' 51' ' ' SER . 23.0 mm -109.99 117.19 54.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-O 121.447 0.641 . . . . 72.43 110.614 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.513 HG13 ' HB2' ' A' ' 89' ' ' LEU . 72.6 t -96.12 -38.66 8.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.112 -0.949 . . . . 73.05 109.831 176.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -128.34 142.59 51.08 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.709 -0.678 . . . . 63.12 110.452 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -145.29 138.76 26.61 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.676 -0.49 . . . . 75.23 109.676 175.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.69 107.35 0.27 Allowed Glycine 0 N--CA 1.44 -1.08 0 N-CA-C 111.507 -0.637 . . . . 52.25 111.507 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 7.6 ptpp? -101.88 144.29 30.72 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.375 -0.602 . . . . 72.54 109.375 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.3 t -159.91 162.09 34.44 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.846 -0.615 . . . . 75.12 109.767 -178.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -70.47 -20.12 62.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.642 0.258 . . . . 74.5 110.59 -178.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.451 ' HD3' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -118.01 144.91 45.16 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.14 -0.482 . . . . 62.25 110.566 -179.611 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.521 HG23 ' HE2' ' A' ' 71' ' ' LYS . 3.6 p -61.01 -45.11 99.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.618 -0.719 . . . . 73.23 111.731 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.77 97.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.723 0.297 . . . . 72.32 111.427 -177.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -46.73 74.47 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.849 -0.426 . . . . 73.15 109.849 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.37 -49.52 76.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.774 -0.648 . . . . 75.31 111.438 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.521 ' HE2' HG23 ' A' ' 67' ' ' VAL . 56.6 mtmt -56.39 -43.95 79.76 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.082 0.468 . . . . 74.35 110.589 177.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -55.31 -46.4 76.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.386 -0.825 . . . . 73.13 111.148 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 35.5 mt -60.8 -53.72 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.64 -0.709 . . . . 73.1 111.579 -178.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.46 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.6 ptt? -62.61 -37.66 87.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.542 -0.299 . . . . 73.41 110.738 -177.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.526 ' HA ' HG21 ' A' ' 5' ' ' ILE . 60.9 mttm -57.45 -50.66 72.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.616 -0.265 . . . . 75.22 110.773 178.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -59.57 -24.53 63.81 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.212 -0.449 . . . . 73.31 111.406 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.501 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 14.6 mmt85 -62.23 -66.57 0.52 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.5 -0.318 . . . . 74.05 110.457 178.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.798 ' HB3' HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -66.93 -31.96 72.9 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 120.64 -0.424 . . . . 74.1 110.221 -179.394 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -51.75 -45.0 63.52 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.813 -0.631 . . . . 74.23 110.526 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.417 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -75.22 -30.71 60.66 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.893 -0.323 . . . . 73.32 111.156 178.242 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 87.0 mt -66.14 -39.48 89.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.638 -0.255 . . . . 74.55 111.072 -177.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.474 ' HA ' HD12 ' A' ' 90' ' ' LEU . 1.1 pp -80.82 -22.04 40.34 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.739 0.274 . . . . 70.42 111.739 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -82.13 -37.75 25.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.282 0.563 . . . . 71.51 110.623 176.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -83.83 -19.51 34.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.591 -0.731 . . . . 62.22 110.01 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.455 ' HA ' ' CD1' ' A' ' 90' ' ' LEU . 48.9 mmtm 65.43 46.61 2.5 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.191 -0.913 . . . . 73.44 109.665 -175.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 m -81.07 134.76 35.72 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.664 -1.153 . . . . 74.14 109.809 177.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -64.91 -10.81 31.62 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.234 0.457 . . . . 75.45 112.234 -176.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.418 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -57.13 -39.67 75.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.673 0.273 . . . . 71.53 111.478 -176.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.798 HD21 ' HB3' ' A' ' 78' ' ' LEU . 24.0 tp -107.86 -21.28 12.9 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.424 0.631 . . . . 73.21 110.596 177.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 82' ' ' LEU . 8.0 mt -109.51 24.35 13.19 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.503 -0.771 . . . . 73.03 112.225 -169.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -73.04 158.8 34.71 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.076 0.465 . . . . 75.44 110.943 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.9 m -83.82 140.99 31.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.337 -0.847 . . . . 64.21 110.551 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.6 p -145.3 163.31 34.89 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.622 -0.717 . . . . 72.03 109.427 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -106.74 70.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.507 -0.477 . . . . 74.14 111.376 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.649 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 40.8 m . . . . . 0 C--N 1.332 -0.179 0 C-N-CA 119.937 -0.705 . . . . 74.11 110.237 170.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.561 ' CG2' ' HG2' ' A' ' 75' ' ' LYS . 4.0 tp . . . . . 0 N--CA 1.456 -0.167 0 N-CA-C 112.027 0.38 . . . . 71.32 112.027 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.598 ' O ' ' HD1' ' A' ' 10' ' ' TYR . 41.4 mt-10 -65.81 -43.0 89.94 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 109.043 -0.725 . . . . 61.35 109.043 -177.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.423 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 68.5 m80 -57.05 -43.94 82.5 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.561 -0.745 . . . . 72.53 110.201 175.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -62.35 -51.16 68.73 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.218 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.625 HG12 ' CZ ' ' A' ' 52' ' ' PHE . 57.1 t -48.67 -52.69 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 O-C-N 123.891 0.744 . . . . 63.05 111.295 178.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.598 ' HD1' ' O ' ' A' ' 6' ' ' GLU . 27.1 m-85 -64.06 -45.15 90.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.579 -0.282 . . . . 63.23 110.465 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 22.1 mm-40 -50.88 -39.52 54.17 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.836 0.68 . . . . 73.52 112.836 -174.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.548 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -100.63 -48.1 4.63 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.505 -0.478 . . . . 62.51 112.226 -179.124 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.843 HD12 HH11 ' A' ' 54' ' ' ARG . 25.6 mt -59.31 -44.03 92.59 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.256 0.465 . . . . 73.01 112.256 -173.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.641 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 18.9 pttp -65.42 -28.04 68.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.295 0.569 . . . . 73.51 109.942 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.52 -13.27 43.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.462 -0.79 . . . . 75.2 111.074 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.548 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 36.0 mt-30 -82.15 -28.55 32.07 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.595 0.712 . . . . 74.14 109.422 173.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.537 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 116.35 29.98 2.18 Favored Glycine 0 N--CA 1.437 -1.257 0 CA-C-N 114.976 -1.011 . . . . 53.32 111.515 -174.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.641 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 4.3 t -121.45 134.24 55.08 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.721 -0.391 . . . . 63.25 110.021 173.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.22 -1.9 9.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.556 0.693 . . . . 73.5 109.841 170.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -94.88 84.17 4.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.193 -0.912 . . . . 74.43 110.738 -173.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 6.7 p90 -165.2 161.77 19.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.508 -0.769 . . . . 72.12 111.217 176.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.3 -176.96 45.82 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.877 -0.601 . . . . 72.05 111.812 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.2 p -123.5 144.81 49.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.07 0.435 . . . . 74.22 111.035 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.1 pttt . . . . . 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 74.32 110.433 176.099 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 . . . . . 0 N--CA 1.448 -0.547 0 CA-C-O 121.457 0.646 . . . . 74.31 111.655 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -83.48 108.85 16.89 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.732 -1.122 . . . . 75.12 110.236 176.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.56 72.54 2.72 Favored Glycine 0 N--CA 1.442 -0.945 0 C-N-CA 120.807 -0.711 . . . . 73.32 111.505 176.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -69.25 121.27 16.48 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.496 -0.557 . . . . 74.44 109.496 176.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.692 ' OG ' HD12 ' A' ' 58' ' ' ILE . 7.4 t -142.46 142.8 32.37 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.313 -0.555 . . . . 53.34 110.87 -177.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.625 ' CZ ' HG12 ' A' ' 9' ' ' VAL . 69.0 t80 -95.96 126.71 41.39 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.907 -0.588 . . . . 73.23 110.227 177.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -102.18 137.77 40.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.15 0.906 . . . . 75.02 111.209 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.843 HH11 HD12 ' A' ' 13' ' ' LEU . 13.0 ttt180 -149.57 126.7 11.31 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.335 -0.848 . . . . 73.54 109.359 171.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 53.93 32.53 15.44 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.423 0.527 . . . . 75.34 112.423 -175.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.22 9.75 81.04 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.657 -0.782 . . . . 72.43 112.754 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -111.87 174.24 5.97 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 109.587 -0.523 . . . . 64.22 109.587 176.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.692 HD12 ' OG ' ' A' ' 51' ' ' SER . 29.2 mm -108.53 116.82 52.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.604 -0.725 . . . . 73.1 110.486 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.53 HG12 HD13 ' A' ' 89' ' ' LEU . 60.5 t -93.8 -37.82 8.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.541 -0.754 . . . . 75.51 110.079 176.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -132.43 139.98 48.25 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.123 -0.49 . . . . 71.24 111.109 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.416 ' CE2' ' HB2' ' A' ' 63' ' ' LYS . 54.4 t80 -139.21 135.53 34.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.901 0.381 . . . . 71.33 110.11 172.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -146.57 109.94 0.51 Allowed Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.861 -0.609 . . . . 73.13 111.606 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.416 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 38.7 ttmt -103.56 118.12 35.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.547 0.213 . . . . 75.34 110.487 -177.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.6 t -149.71 168.8 22.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.94 0.4 . . . . 51.32 110.795 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -86.13 -9.68 56.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.871 -0.604 . . . . 75.22 110.234 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.574 ' HB2' ' HB3' ' A' ' 69' ' ' ASN . 19.9 mmtm -107.1 129.26 54.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.826 -0.624 . . . . 74.45 109.32 176.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.545 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 7.9 p -54.83 -43.47 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.027 0.441 . . . . 75.34 110.644 176.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.456 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . . . -74.34 -34.42 63.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.943 -0.571 . . . . 53.24 112.162 -178.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.574 ' HB3' ' HB2' ' A' ' 66' ' ' LYS . 3.0 t-20 -73.4 -45.76 52.79 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.771 0.319 . . . . 75.11 110.161 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.427 ' HA ' HD11 ' A' ' 73' ' ' ILE . . . -57.5 -47.12 82.8 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.856 0.836 . . . . 72.45 109.923 175.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 67' ' ' VAL . 23.1 ttpt -59.36 -41.39 89.14 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.008 -1.451 . . . . 73.3 110.147 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.435 ' HB3' ' O ' ' A' ' 69' ' ' ASN . 53.4 t80 -59.07 -47.68 84.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.622 -0.717 . . . . 75.04 111.27 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.427 HD11 ' HA ' ' A' ' 70' ' ' ALA . 45.6 mt -58.54 -53.14 50.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.948 -0.569 . . . . 74.55 111.16 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.2 ptt? -61.43 -36.89 81.64 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.793 -0.363 . . . . 62.43 110.218 178.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.561 ' HG2' ' CG2' ' A' ' 5' ' ' ILE . 79.2 mttt -55.99 -50.62 70.34 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-O 120.367 0.127 . . . . 72.11 110.813 176.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -57.38 -28.79 63.52 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.162 -0.472 . . . . 71.4 111.665 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.545 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 36.5 mmt180 -60.67 -64.99 0.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.385 -0.37 . . . . 74.22 110.484 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.717 ' HB3' HD21 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -67.36 -32.12 72.83 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.663 -0.415 . . . . 73.34 110.67 179.523 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 3.2 tm? -53.48 -51.3 63.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.149 -0.478 . . . . 73.12 109.879 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -65.63 -31.37 72.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.232 -0.44 . . . . 65.41 110.791 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 89.8 mt -68.29 -38.17 81.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.649 -0.25 . . . . 75.35 111.065 -177.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.511 ' HA ' HD11 ' A' ' 90' ' ' LEU . 1.4 pp -81.06 -35.27 31.98 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.797 -0.361 . . . . 73.41 111.127 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -67.32 -37.09 82.75 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.385 0.612 . . . . 72.32 110.796 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -89.15 -17.23 29.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.466 -0.788 . . . . 70.43 110.166 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 63.39 48.97 3.34 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.209 -0.905 . . . . 74.32 110.511 -177.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.3 m -88.16 144.2 26.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.917 -1.038 . . . . 73.42 110.529 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.584 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 2.9 p-10 -77.87 7.52 5.83 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.459 0.54 . . . . 74.13 112.459 -173.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.71 -37.87 73.59 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 121.054 -0.258 . . . . 75.25 111.252 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.717 HD21 ' HB3' ' A' ' 78' ' ' LEU . 14.0 tp -109.29 -25.79 10.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.398 0.618 . . . . 75.02 110.283 177.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.511 HD11 ' HA ' ' A' ' 82' ' ' LEU . 5.6 mt -105.01 24.78 11.41 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.478 -0.783 . . . . 64.33 112.122 -170.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.584 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 43.2 p90 -73.65 164.48 26.59 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.227 0.537 . . . . 73.23 111.654 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.3 m -85.32 134.06 34.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.531 -0.758 . . . . 73.03 110.069 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.1 p -137.33 179.43 6.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.848 -0.615 . . . . 72.32 110.288 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -113.87 76.61 0.99 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.914 0.387 . . . . 73.14 111.128 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.537 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 65.0 m . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 121.287 0.565 . . . . 70.23 109.616 164.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.562 ' O ' HG23 ' A' ' 9' ' ' VAL . 6.1 tp . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 111.691 0.256 . . . . 65.45 111.691 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.64 -45.84 88.4 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.502 -0.555 . . . . 64.52 109.502 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.671 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 56.4 m80 -54.3 -45.99 72.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.892 -0.594 . . . . 74.35 110.341 174.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -61.0 -52.64 64.16 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.225 0.328 . . . . 75.42 110.484 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.655 HG12 ' CZ ' ' A' ' 52' ' ' PHE . 59.9 t -53.12 -44.73 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 115.724 -0.671 . . . . 72.53 110.836 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.601 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 11.8 m-30 -65.33 -46.95 78.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.679 -0.489 . . . . 75.53 109.679 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.671 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 22.2 mm-40 -48.79 -53.8 17.69 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.759 0.662 . . . . 65.01 112.637 -173.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.518 HD11 ' H ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -85.02 -40.77 16.47 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.009 -0.541 . . . . 75.43 111.832 -174.68 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 89' ' ' LEU . 21.9 mt -63.86 -47.08 82.12 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.194 0.442 . . . . 71.34 112.194 -177.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 20.4 pttp -68.54 -17.29 64.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.171 0.51 . . . . 72.25 109.86 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.427 ' HB3' ' O ' ' A' ' 12' ' ' LEU . 17.5 t70 -77.52 -46.81 21.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.484 -0.78 . . . . 71.42 110.713 175.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 13.8 mt-30 -62.37 -31.15 71.76 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.711 -0.677 . . . . 74.12 110.224 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.599 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 119.29 36.18 0.88 Allowed Glycine 0 N--CA 1.437 -1.256 0 CA-C-N 114.999 -1.001 . . . . 65.42 111.622 -177.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 6.7 t -119.82 127.44 52.78 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.672 -0.411 . . . . 71.21 110.834 175.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -137.08 69.61 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.691 0.757 . . . . 61.13 109.494 166.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -153.01 80.83 1.2 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.608 -1.178 . . . . 74.13 108.13 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.42 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 3.8 p90 -165.54 161.54 18.6 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.942 -1.027 . . . . 63.55 110.328 -177.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.66 -172.23 45.19 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.381 -0.687 . . . . 75.25 111.381 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.4 p -125.38 144.01 50.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.974 0.387 . . . . 74.23 111.286 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.58 0 CA-C-O 121.392 0.615 . . . . 72.34 110.245 171.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.451 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 19.7 m-85 . . . . . 0 N--CA 1.447 -0.593 0 CA-C-O 120.959 0.409 . . . . 74.24 110.617 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 5.0 m-30 -74.72 109.06 7.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.573 -0.74 . . . . 74.21 110.042 176.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.59 71.46 2.99 Favored Glycine 0 N--CA 1.441 -1.022 0 N-CA-C 111.12 -0.792 . . . . 61.34 111.12 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.76 135.91 55.53 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.902 -0.407 . . . . 74.13 109.902 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.486 ' HB2' HD13 ' A' ' 58' ' ' ILE . 6.9 p -157.31 149.27 22.5 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.067 0.46 . . . . 61.42 111.463 -178.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.655 ' CZ ' HG12 ' A' ' 9' ' ' VAL . 38.8 t80 -106.64 121.28 44.02 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.539 -0.755 . . . . 72.04 109.736 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -91.04 143.72 26.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.464 -0.789 . . . . 74.35 111.258 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.499 ' HB3' HG23 ' A' ' 59' ' ' VAL . 14.0 tpt180 -148.01 104.46 3.56 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.085 -0.961 . . . . 72.52 110.018 -178.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 59.96 28.38 17.89 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.238 0.336 . . . . 64.02 111.483 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.88 -3.21 84.73 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.922 -0.656 . . . . 74.13 112.395 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -101.62 175.88 5.41 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.798 -0.445 . . . . 73.12 109.798 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.486 HD13 ' HB2' ' A' ' 51' ' ' SER . 22.3 mm -113.61 118.82 59.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.765 -0.652 . . . . 74.53 110.789 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.499 HG23 ' HB3' ' A' ' 54' ' ' ARG . 79.7 t -95.01 -38.93 9.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.717 -0.674 . . . . 72.12 109.798 176.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.422 ' HB3' ' HG ' ' A' ' 78' ' ' LEU . . . -128.96 140.68 51.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.966 -0.561 . . . . 75.22 110.748 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.473 ' CD2' ' HB3' ' A' ' 51' ' ' SER . 42.9 t80 -147.74 136.03 21.48 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.746 -0.464 . . . . 74.12 109.746 173.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -151.37 96.86 0.17 Allowed Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 111.571 -0.612 . . . . 55.53 111.571 177.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 29.5 ttpt -86.59 115.47 24.08 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 120.777 0.322 . . . . 72.52 110.952 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.472 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 37.5 t -147.69 152.84 38.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.16 -0.473 . . . . 65.1 110.738 -177.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -70.35 -28.74 65.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.382 0.61 . . . . 72.24 110.168 -179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.557 ' HE3' ' HB1' ' A' ' 68' ' ' ALA . 44.3 tttp -93.11 122.27 35.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.334 -0.848 . . . . 73.53 109.451 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 15.0 p -55.2 -39.48 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.785 0.326 . . . . 75.23 110.596 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.561 ' HA ' ' CE ' ' A' ' 71' ' ' LYS . . . -69.52 -35.49 75.55 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.315 -0.402 . . . . 74.11 111.859 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.408 ' HB2' ' HD3' ' A' ' 66' ' ' LYS . 12.3 t30 -77.32 -40.72 43.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.77 0.319 . . . . 74.23 110.14 -177.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.472 ' HB2' ' HB3' ' A' ' 64' ' ' SER . . . -58.67 -46.18 87.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.926 -0.579 . . . . 74.4 110.525 174.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.561 ' CE ' ' HA ' ' A' ' 68' ' ' ALA . 50.1 mtmt -56.11 -47.73 77.53 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.769 -0.65 . . . . 74.41 110.168 173.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -54.77 -47.35 74.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.167 -0.924 . . . . 74.44 111.528 -175.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.44 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 37.1 mt -59.7 -55.48 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.769 -0.65 . . . . 74.15 111.407 -179.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.481 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.4 ptt? -62.27 -39.01 91.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.541 -0.3 . . . . 74.2 110.666 -178.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.516 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 54.6 mttm -55.62 -50.92 68.88 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 120.629 0.252 . . . . 72.12 110.36 178.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -63.35 -20.29 65.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.909 -0.587 . . . . 71.33 111.65 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 14.0 mmt85 -66.98 -65.87 0.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.515 -0.311 . . . . 72.53 110.659 178.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.639 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -65.92 -30.18 70.72 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.282 -0.567 . . . . 74.32 110.68 179.059 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.453 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 3.0 tm? -54.77 -49.7 70.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 73.14 109.951 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -64.84 -30.13 71.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.48 -0.327 . . . . 74.31 111.112 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.496 HD22 ' HB2' ' A' ' 89' ' ' LEU . 5.6 mp -69.22 -35.83 76.59 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.462 -0.335 . . . . 73.13 111.401 -179.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.461 HD23 HD13 ' A' ' 5' ' ' ILE . 1.5 pp -86.13 -22.48 27.04 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.83 -0.348 . . . . 73.23 111.373 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 79' ' ' LEU . 7.8 mm-40 -78.31 -40.37 36.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.269 0.557 . . . . 54.41 110.357 176.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -91.99 -16.29 26.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.657 -0.701 . . . . 75.1 110.49 -177.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 64.88 44.86 3.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.254 -0.885 . . . . 74.31 110.935 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.8 m -80.0 134.86 36.27 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.084 -0.962 . . . . 71.41 109.943 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -67.0 -3.35 6.93 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.78 0.659 . . . . 72.34 112.78 -173.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.38 -40.57 97.59 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 121.056 -0.257 . . . . 65.52 111.193 -176.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.639 HD23 ' HB3' ' A' ' 78' ' ' LEU . 12.2 tp -102.55 -13.59 17.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.511 0.672 . . . . 72.35 110.688 175.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.0 mt -113.67 21.1 15.35 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 112.881 0.696 . . . . 75.44 112.881 -170.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -70.1 160.81 31.34 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.069 0.461 . . . . 73.44 111.628 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.2 m -84.78 147.18 26.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.654 -0.703 . . . . 74.44 110.32 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.4 p -148.7 -178.85 6.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.284 -0.416 . . . . 60.21 110.586 -175.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -108.96 77.42 1.07 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.299 -0.409 . . . . 64.4 110.839 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.599 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 25.6 m . . . . . 0 C--N 1.329 -0.304 0 C-N-CA 120.268 -0.573 . . . . 72.03 110.978 166.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.208 0 CA-C-O 121.209 0.528 . . . . 73.32 110.4 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -62.89 -36.0 81.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.607 -0.724 . . . . 72.4 110.001 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.513 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 39.0 m170 -68.03 -40.21 82.95 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.357 -0.383 . . . . 73.25 110.192 177.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -62.47 -48.33 80.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 72.14 110.698 -178.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.0 p -63.98 -35.86 74.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 71.44 111.084 -177.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -65.96 -40.27 91.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.64 -0.504 . . . . 75.32 109.64 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 11.5 mm100 -56.48 -50.6 71.29 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.676 -0.693 . . . . 74.51 112.566 -170.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.28 -36.94 17.62 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.298 -0.41 . . . . 71.43 111.724 -174.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.5 mt -64.58 -44.49 90.49 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 111.9 0.333 . . . . 54.32 111.9 -178.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -21.64 63.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.069 0.461 . . . . 73.13 110.215 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -72.46 -45.61 58.75 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.797 -0.638 . . . . 74.25 110.28 175.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -66.82 -22.04 66.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.472 -0.785 . . . . 72.53 109.917 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 105.36 37.11 2.71 Favored Glycine 0 N--CA 1.438 -1.169 0 CA-C-N 115.395 -0.82 . . . . 55.21 112.339 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.6 t -109.95 138.64 46.04 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.427 -0.509 . . . . 73.44 110.07 173.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.423 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.1 OUTLIER -122.49 -0.18 9.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.062 0.458 . . . . 73.33 110.338 172.47 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.554 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 24.3 t70 -105.69 84.13 2.03 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.861 -0.608 . . . . 63.03 111.4 -171.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -166.4 150.55 7.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.279 -0.873 . . . . 74.04 110.644 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.56 177.84 43.5 Favored Glycine 0 C--O 1.228 -0.24 0 C-N-CA 121.202 -0.523 . . . . 54.02 112.145 -179.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.8 p -105.79 152.68 22.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.88 0.34 . . . . 72.35 111.344 -178.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.704 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 20.5 ptmt . . . . . 0 C--N 1.325 -0.463 0 CA-C-O 120.859 0.361 . . . . 70.43 110.466 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 N--CA 1.45 -0.452 0 CA-C-O 120.896 0.379 . . . . 73.24 110.324 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -83.12 103.55 12.63 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.803 -0.635 . . . . 75.42 110.019 175.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.77 78.31 1.92 Allowed Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.821 -0.627 . . . . 74.21 111.876 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.457 ' C ' ' HG ' ' A' ' 51' ' ' SER . 7.0 m-85 -69.5 140.89 54.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.581 0.229 . . . . 63.54 110.403 178.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.534 ' HB2' ' CG ' ' A' ' 24' ' ' LYS . 5.0 m -155.28 158.73 39.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.845 0.355 . . . . 62.54 110.81 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.587 ' CG ' HD21 ' A' ' 78' ' ' LEU . 42.8 t80 -116.53 126.61 53.58 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.721 -0.474 . . . . 71.52 109.721 174.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.704 ' CE2' ' HD2' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -92.37 142.82 27.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.168 -0.924 . . . . 74.13 111.957 -176.35 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.497 ' HB3' HG21 ' A' ' 59' ' ' VAL . 12.4 tpt180 -147.87 107.18 3.9 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.949 -1.023 . . . . 74.34 109.553 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.554 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 5.0 m-70 59.32 27.03 16.0 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 111.905 0.335 . . . . 73.15 111.905 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.8 -1.6 85.38 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.228 -0.987 . . . . 73.53 112.418 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -105.23 174.0 6.06 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.353 -0.61 . . . . 74.44 109.353 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.527 HD12 ' HB3' ' A' ' 51' ' ' SER . 14.2 mm -109.11 125.63 66.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 116.071 -0.513 . . . . 73.42 110.393 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.497 HG21 ' HB3' ' A' ' 54' ' ' ARG . 75.2 t -101.38 -45.06 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.957 -0.565 . . . . 74.14 110.009 175.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.67 140.74 48.91 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.098 -0.501 . . . . 74.34 110.478 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -144.68 135.5 24.81 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.596 -0.52 . . . . 73.22 109.596 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.418 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -156.6 97.33 0.16 Allowed Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 111.497 -0.641 . . . . 64.22 111.497 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -97.65 124.7 42.04 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.565 0.221 . . . . 62.32 110.695 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.0 t -148.73 162.72 39.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.25 -0.432 . . . . 63.23 110.077 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -73.33 -14.95 61.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.011 0.434 . . . . 63.04 110.212 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HE2' ' HB2' ' A' ' 66' ' ' LYS . 22.9 ttmm -114.37 129.61 56.65 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.044 -0.525 . . . . 72.32 110.481 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.497 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 4.2 p -55.41 -46.99 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 115.882 -0.599 . . . . 74.34 111.233 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.73 97.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 75.01 111.868 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 72' ' ' TYR . 65.9 t30 -70.51 -48.91 53.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.959 0.409 . . . . 62.5 110.281 -178.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.522 ' HA ' HD13 ' A' ' 73' ' ' ILE . . . -54.28 -46.76 72.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.438 -0.801 . . . . 73.15 110.81 177.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.502 ' HG2' ' HE2' ' A' ' 75' ' ' LYS . 15.2 ttpt -63.64 -40.65 97.41 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.475 -1.238 . . . . 72.04 110.292 -179.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.461 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 34.8 t80 -55.6 -48.81 74.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.712 -0.676 . . . . 75.04 110.393 175.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.556 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 54.0 mt -56.38 -56.08 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.383 -0.826 . . . . 71.42 111.567 -177.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.476 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.9 ptt? -60.96 -39.96 91.51 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.624 -0.262 . . . . 75.13 110.936 -178.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.555 ' O ' HG13 ' A' ' 5' ' ' ILE . 49.6 mttm -60.56 -45.9 92.22 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.865 0.364 . . . . 73.22 110.705 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 15.4 mm100 -60.99 -24.18 65.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.061 -0.518 . . . . 74.13 111.006 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 10.1 mmt180 -66.46 -64.66 0.81 Allowed 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.279 -0.419 . . . . 70.43 111.037 -178.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.679 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -62.12 -34.09 75.69 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 119.891 -0.724 . . . . 71.34 110.084 179.209 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.582 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 10.2 tp -52.74 -58.89 5.38 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.156 0.503 . . . . 73.41 110.677 177.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -58.98 -28.98 66.85 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.636 -0.711 . . . . 74.32 110.336 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 91.8 mt -70.94 -39.74 72.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.479 -0.328 . . . . 74.25 110.938 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 79' ' ' LEU . 1.3 pp -81.13 -21.98 39.41 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.698 0.285 . . . . 75.44 111.142 178.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -79.55 -38.02 35.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.152 0.501 . . . . 51.34 110.739 173.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -88.32 -18.64 28.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.851 -0.613 . . . . 72.41 110.197 -176.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.485 ' HZ1' ' HB3' ' A' ' 85' ' ' LYS . 3.1 mmmp? 65.03 37.53 6.73 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.359 -0.837 . . . . 75.12 110.276 -177.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.8 m -76.45 146.19 38.75 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.242 -0.89 . . . . 64.12 110.131 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 3.3 p-10 -75.62 -1.56 25.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.007 0.373 . . . . 72.24 112.007 -173.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -65.62 -38.86 90.61 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.706 0.262 . . . . 60.31 111.706 -175.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.679 HD23 ' HB3' ' A' ' 78' ' ' LEU . 9.7 tp -110.13 -17.62 13.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.47 0.652 . . . . 62.43 110.678 178.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 82' ' ' LEU . 13.9 mt -108.92 15.52 23.38 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 112.711 0.634 . . . . 72.34 112.711 -170.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.455 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 31.9 p90 -67.54 156.83 35.77 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.937 0.398 . . . . 73.11 110.618 178.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.6 m -83.92 139.05 32.85 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.019 -0.537 . . . . 71.25 110.101 177.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.9 p -132.84 177.23 7.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.036 -0.529 . . . . 64.23 109.771 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -109.83 68.95 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.927 0.343 . . . . 71.22 111.927 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.533 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 68.3 m . . . . . 0 CA--C 1.533 0.303 0 C-N-CA 119.904 -0.719 . . . . 75.31 111.095 167.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.518 HG23 ' HA ' ' A' ' 75' ' ' LYS . 6.7 tp . . . . . 0 CA--C 1.519 -0.228 0 N-CA-C 109.685 -0.487 . . . . 74.23 109.685 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.63 -40.55 95.25 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.277 -0.874 . . . . 75.41 109.525 -178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.67 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 28.1 m80 -60.86 -49.9 75.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.944 -0.571 . . . . 73.11 110.185 174.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -58.57 -50.6 73.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 74.32 111.233 -175.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.556 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 7.2 p -63.1 -39.48 85.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.131 -0.486 . . . . 72.52 111.575 -176.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -69.33 -32.76 72.07 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.408 -0.517 . . . . 72.42 109.756 178.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.67 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 26.6 mm-40 -57.75 -49.34 76.89 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.957 -0.565 . . . . 75.03 111.942 -175.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.501 HD11 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -89.22 -43.18 11.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.267 -0.424 . . . . 74.24 111.8 -175.808 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.501 ' H ' HD11 ' A' ' 12' ' ' LEU . 17.4 mt -60.27 -45.4 93.43 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.604 0.594 . . . . 75.53 112.604 -176.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.572 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 17.3 pttp -69.33 -24.47 63.92 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.663 -0.415 . . . . 73.53 110.19 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -75.47 -34.4 60.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.749 -0.66 . . . . 72.02 110.139 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 12.1 mt-30 -72.38 -9.73 58.89 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.481 -0.781 . . . . 74.32 110.511 177.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.48 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 95.95 27.7 10.04 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.658 -0.782 . . . . 72.24 111.951 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.572 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 5.8 t -107.88 140.33 41.16 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.573 -0.451 . . . . 75.54 110.127 174.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -126.47 -4.7 6.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.889 0.376 . . . . 70.32 111.118 173.462 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.412 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 18.8 t70 -97.79 85.85 3.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.131 0.491 . . . . 54.14 111.014 -174.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -169.22 172.98 6.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.352 -0.84 . . . . 71.54 110.344 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.31 164.4 14.58 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.026 -0.607 . . . . 73.51 112.004 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.6 p -94.89 136.82 34.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.888 0.344 . . . . 75.33 111.215 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.58 ' HZ3' ' HE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.775 0 N-CA-C 109.081 -0.711 . . . . 72.35 109.081 175.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 N--CA 1.447 -0.598 0 CA-C-O 120.877 0.37 . . . . 71.32 110.627 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.417 ' CE2' ' HB ' ' A' ' 67' ' ' VAL . 4.1 m-30 -83.56 104.17 13.47 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.967 -0.753 . . . . 73.42 108.967 173.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.35 76.81 1.78 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.743 -0.741 . . . . 63.21 111.876 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.584 ' CE2' HG23 ' A' ' 67' ' ' VAL . 4.4 m-85 -78.43 136.57 37.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.878 0.37 . . . . 65.42 110.337 177.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.571 ' OG ' HD11 ' A' ' 58' ' ' ILE . 31.8 t -164.02 153.87 14.6 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.141 -0.481 . . . . 63.3 110.111 -178.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.626 ' CG ' HD23 ' A' ' 78' ' ' LEU . 49.4 t80 -111.12 125.83 54.2 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.587 -0.278 . . . . 62.45 110.425 176.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.58 ' HE2' ' HZ3' ' A' ' 24' ' ' LYS . 9.2 m-85 -103.54 136.19 43.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.175 -0.921 . . . . 72.43 111.288 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -139.53 116.46 10.96 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.707 -0.849 . . . . 75.04 108.707 167.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.412 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 14.0 m-70 60.82 26.96 16.78 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.864 0.364 . . . . 50.44 111.498 -178.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.97 2.66 90.62 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.506 -0.855 . . . . 73.35 112.566 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -93.88 166.03 12.38 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 109.667 -0.494 . . . . 73.3 109.667 176.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.571 HD11 ' OG ' ' A' ' 51' ' ' SER . 32.2 mm -109.46 108.53 25.58 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-N 115.467 -0.788 . . . . 71.22 110.263 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.521 HG13 HD13 ' A' ' 89' ' ' LEU . 88.5 t -88.92 -35.1 7.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 CA-C-N 114.919 -1.037 . . . . 74.44 109.704 178.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -138.01 145.2 41.57 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.892 -0.595 . . . . 75.2 110.745 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -149.16 128.09 12.64 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.9 -0.407 . . . . 74.41 109.9 175.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.444 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -148.56 105.99 0.32 Allowed Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.79 -0.641 . . . . 70.55 111.601 179.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -106.56 123.91 48.81 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.171 0.51 . . . . 73.43 110.955 -177.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.3 m -151.32 166.21 31.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.056 -0.52 . . . . 71.31 110.296 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -35.62 73.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.454 0.645 . . . . 74.11 109.571 178.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -100.34 131.1 46.46 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.931 -1.032 . . . . 74.21 110.055 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.584 HG23 ' CE2' ' A' ' 50' ' ' PHE . 2.5 p -56.1 -41.8 70.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.821 -0.627 . . . . 74.04 111.478 -178.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.02 86.1 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.063 0.394 . . . . 74.22 112.063 -178.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.33 -46.11 35.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.968 0.413 . . . . 74.21 110.035 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.39 -47.56 78.69 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.486 -0.779 . . . . 73.11 111.037 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.494 ' HE2' HG21 ' A' ' 67' ' ' VAL . 48.4 mtmt -58.45 -46.32 86.8 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 116.082 -0.508 . . . . 75.13 110.601 176.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.403 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 27.5 t80 -52.12 -48.17 64.96 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.372 -0.831 . . . . 74.21 111.441 -175.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.444 ' HB ' ' HA3' ' A' ' 62' ' ' GLY . 33.3 mt -59.06 -52.68 57.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.613 -0.721 . . . . 75.53 111.257 -177.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.464 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.7 ptt? -66.37 -39.64 89.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 72.54 110.967 -177.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.518 ' HA ' HG23 ' A' ' 5' ' ' ILE . 54.7 mttm -57.4 -45.07 84.92 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 120.556 0.217 . . . . 74.11 110.983 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 86.7 mm-40 -59.54 -32.16 70.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 75.42 111.314 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 77' ' ' ARG . 18.6 mmm-85 -60.63 -67.26 0.41 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.974 -0.557 . . . . 74.54 111.552 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.798 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -62.81 -35.1 78.79 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.328 -0.549 . . . . 64.01 110.452 -178.802 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.573 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 13.2 tp -49.8 -60.01 3.3 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.14 0.495 . . . . 75.44 110.94 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -60.29 -26.53 66.58 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.49 -0.777 . . . . 73.23 111.02 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 96.2 mt -72.39 -38.22 68.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.292 -0.413 . . . . 70.13 110.786 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 79' ' ' LEU . 2.5 pp -85.36 -25.73 26.91 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 121.079 -0.248 . . . . 74.34 111.078 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -67.84 -49.21 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.188 0.518 . . . . 75.53 110.219 173.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -86.75 -13.81 44.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.585 -0.734 . . . . 63.43 110.594 -176.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm 64.82 48.13 2.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.417 -0.81 . . . . 74.32 110.344 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.7 m -87.43 134.43 33.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.995 -1.002 . . . . 74.01 110.142 175.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 8.9 p30 -70.28 0.71 5.9 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.853 0.686 . . . . 74.52 112.853 -171.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.424 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.4 mm? -62.47 -35.66 80.02 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.886 -0.325 . . . . 62.24 111.215 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.798 HD22 ' HB3' ' A' ' 78' ' ' LEU . 17.5 tp -107.14 -16.06 14.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.262 0.554 . . . . 71.45 110.387 175.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 82' ' ' LEU . 13.8 mt -114.64 18.05 16.88 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.558 -0.747 . . . . 74.44 112.666 -168.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.431 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 41.0 p90 -68.55 167.14 15.57 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.308 0.575 . . . . 72.14 111.772 -176.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.4 m -91.21 132.5 36.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.54 -0.754 . . . . 64.21 110.866 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.7 p -133.66 174.74 10.11 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.545 -0.752 . . . . 61.31 109.758 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -111.61 73.01 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.071 0.232 . . . . 72.42 111.371 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 58.9 m . . . . . 0 N--CA 1.455 -0.194 0 C-N-CA 119.998 -0.681 . . . . 64.44 110.572 167.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.674 HG22 ' OE1' ' A' ' 6' ' ' GLU . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.321 0 N-CA-C 111.652 0.241 . . . . 74.13 111.652 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.674 ' OE1' HG22 ' A' ' 5' ' ' ILE . 1.2 mp0 -65.56 -31.2 72.12 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.456 -0.572 . . . . 73.32 109.456 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.706 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 55.2 m80 -63.34 -47.8 80.66 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.748 -0.66 . . . . 73.45 109.84 173.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.509 ' HG2' ' HA ' ' A' ' 5' ' ' ILE . 60.4 mmtt -59.17 -49.69 76.88 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.039 -0.528 . . . . 73.15 111.394 -176.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.429 HG12 ' HA ' ' A' ' 6' ' ' GLU . 7.8 p -63.92 -34.08 66.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.956 -0.566 . . . . 73.03 111.292 -176.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.487 ' CD1' ' HE1' ' A' ' 21' ' ' PHE . 13.4 m-30 -71.99 -32.1 66.9 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.928 -0.397 . . . . 75.04 109.928 177.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.706 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 28.7 mm-40 -59.13 -51.29 70.64 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.032 -0.531 . . . . 71.0 111.837 -174.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.518 HD11 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -90.42 -40.14 12.23 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.964 -0.562 . . . . 73.12 112.122 -173.095 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 89' ' ' LEU . 19.6 mt -63.6 -44.2 94.7 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.256 0.465 . . . . 72.51 112.256 -176.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.593 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 49.2 pttt -67.25 -19.98 65.6 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.715 -0.394 . . . . 74.34 110.086 179.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -76.81 -45.07 30.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 75.43 110.258 176.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -64.43 -20.02 65.89 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.477 -0.783 . . . . 73.33 110.847 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.591 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 109.56 35.47 2.25 Favored Glycine 0 N--CA 1.438 -1.182 0 C-N-CA 120.653 -0.784 . . . . 64.2 111.939 -179.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.593 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.6 t -121.62 138.35 54.36 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.739 -0.384 . . . . 73.01 110.671 174.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.401 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.1 OUTLIER -124.85 -8.98 7.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.103 0.478 . . . . 74.54 109.898 167.666 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.612 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 18.1 t0 -87.34 81.43 7.89 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.605 0.717 . . . . 74.22 111.356 -177.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.487 ' HE1' ' CD1' ' A' ' 10' ' ' TYR . 13.2 p90 -164.29 154.87 14.99 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.733 -1.121 . . . . 74.21 109.903 175.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.95 -176.75 45.35 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.673 -0.775 . . . . 73.24 111.962 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.2 p -107.86 151.3 25.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.805 0.302 . . . . 74.34 111.257 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.786 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 17.2 ptmt . . . . . 0 C--N 1.325 -0.471 0 CA-C-O 120.994 0.426 . . . . 72.42 110.584 175.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 N--CA 1.445 -0.688 0 CA-C-O 121.148 0.499 . . . . 74.05 110.623 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 17.9 m-30 -77.08 106.88 9.06 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.268 -0.878 . . . . 75.35 110.173 178.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.4 72.31 2.83 Favored Glycine 0 N--CA 1.441 -0.984 0 C-N-CA 120.627 -0.796 . . . . 73.22 111.187 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.46 ' C ' ' HG ' ' A' ' 51' ' ' SER . 3.5 m-85 -64.29 134.98 55.76 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.607 -0.516 . . . . 75.52 109.607 177.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.509 ' HB3' HD12 ' A' ' 58' ' ' ILE . 6.2 m -152.01 161.54 42.48 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 120.777 0.322 . . . . 63.22 110.231 -178.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.541 ' CG ' HD23 ' A' ' 78' ' ' LEU . 34.0 t80 -117.22 127.37 54.03 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.273 -0.421 . . . . 74.4 110.023 175.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.786 ' CE2' ' HD2' ' A' ' 24' ' ' LYS . 0.8 OUTLIER -94.1 140.99 29.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.839 -1.073 . . . . 73.31 112.037 -176.663 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.446 ' HB3' HG21 ' A' ' 59' ' ' VAL . 16.4 tpt180 -146.16 106.21 4.01 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.982 -1.008 . . . . 63.21 109.295 177.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.612 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 7.9 m-70 59.41 28.51 17.89 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 111.973 0.36 . . . . 73.14 111.973 -178.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.58 1.34 85.67 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.414 -0.898 . . . . 54.02 112.464 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -102.72 172.78 6.65 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.416 -0.587 . . . . 63.42 109.416 176.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.509 HD12 ' HB3' ' A' ' 51' ' ' SER . 13.0 mm -112.65 113.57 44.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-N 116.001 -0.545 . . . . 75.53 110.292 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.514 HG13 HD13 ' A' ' 89' ' ' LEU . 78.7 t -91.45 -37.11 8.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.752 -0.658 . . . . 74.24 110.397 178.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -127.34 144.92 50.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.141 -0.481 . . . . 74.54 110.729 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.565 ' OH ' ' HE3' ' A' ' 63' ' ' LYS . 68.2 t80 -146.5 135.51 22.52 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.429 0.456 . . . . 71.3 110.165 177.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.3 107.74 0.34 Allowed Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.641 -0.583 . . . . 72.44 111.641 178.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.565 ' HE3' ' OH ' ' A' ' 61' ' ' TYR . 36.8 ttmt -101.05 126.17 47.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.844 0.354 . . . . 73.34 111.027 -178.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.505 ' HB2' ' HB1' ' A' ' 70' ' ' ALA . 62.2 m -156.03 161.15 40.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.937 -0.574 . . . . 71.33 110.04 176.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -87.36 -13.28 43.91 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.804 -0.813 . . . . 71.13 108.804 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HB2' ' CB ' ' A' ' 69' ' ' ASN . 33.7 mmtp -92.01 116.96 29.37 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.91 -1.041 . . . . 75.15 108.43 171.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.633 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 14.9 p -57.09 -39.72 68.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.75 0.309 . . . . 71.53 110.579 -178.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.15 -39.0 75.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.473 -0.331 . . . . 72.4 111.199 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.411 ' CB ' ' HB2' ' A' ' 66' ' ' LYS . 6.2 t30 -68.3 -43.21 78.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.979 0.419 . . . . 73.42 109.917 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' A' ' 64' ' ' SER . . . -59.99 -50.09 75.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.604 -0.725 . . . . 72.31 111.265 178.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' A' ' 67' ' ' VAL . 46.5 mtmt -59.54 -40.58 87.7 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.118 -0.492 . . . . 73.41 110.163 177.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -55.94 -49.39 73.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.367 -0.833 . . . . 74.45 110.679 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 41.7 mt -58.0 -53.73 41.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.652 -0.703 . . . . 73.1 111.407 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 3.0 ptt? -63.53 -39.22 93.84 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.836 -0.346 . . . . 75.03 110.743 -177.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.54 ' HA ' HG23 ' A' ' 5' ' ' ILE . 59.6 mttm -60.37 -44.31 95.74 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.527 0.203 . . . . 72.53 110.845 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -64.73 -21.66 66.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.513 -0.312 . . . . 73.12 111.328 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 37.6 mmt180 -64.84 -63.86 1.01 Allowed 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.685 -0.234 . . . . 75.2 110.547 177.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.848 ' HB3' HD21 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -63.59 -33.62 76.02 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 120.365 -0.534 . . . . 75.3 110.234 178.863 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -50.57 -53.4 30.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.779 -0.646 . . . . 72.04 110.235 178.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -66.56 -27.99 68.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.456 -0.338 . . . . 73.11 111.237 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 91.3 mt -72.29 -41.05 67.08 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 121.193 -0.203 . . . . 71.14 111.113 -178.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.486 HD23 HD11 ' A' ' 5' ' ' ILE . 1.8 pp -79.11 -18.52 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.067 0.46 . . . . 73.15 110.994 178.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -79.75 -50.07 11.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.074 -0.512 . . . . 73.42 110.556 174.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -85.27 -13.07 50.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.604 -0.726 . . . . 73.31 110.434 -174.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm 67.61 40.21 2.59 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.359 -0.837 . . . . 74.21 111.442 177.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.9 m -81.0 140.42 35.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.544 -0.753 . . . . 42.11 109.777 177.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -68.33 -9.96 51.52 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.339 0.496 . . . . 75.02 112.339 -172.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.438 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -56.13 -38.18 70.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 111.977 0.362 . . . . 75.22 111.977 -175.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.848 HD21 ' HB3' ' A' ' 78' ' ' LEU . 27.2 tp -110.89 -13.12 14.18 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.435 0.636 . . . . 75.33 110.825 177.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.6 mt -112.84 13.18 19.64 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 113.008 0.744 . . . . 72.33 113.008 -169.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -67.72 158.47 32.24 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.061 0.458 . . . . 74.14 110.79 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.0 t -90.98 145.98 24.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.769 -0.65 . . . . 71.41 109.7 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 19.5 p -142.49 178.66 7.45 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.685 -0.689 . . . . 70.33 109.346 -176.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -110.9 71.91 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.464 0.174 . . . . 71.42 111.064 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 24.3 m . . . . . 0 C--O 1.232 0.178 0 C-N-CA 120.325 -0.55 . . . . 71.43 110.183 169.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.548 HG23 ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 111.751 0.278 . . . . 74.41 111.751 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -64.92 -41.87 95.18 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.702 -0.399 . . . . 63.23 110.252 -176.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -63.96 -34.65 78.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.141 -0.481 . . . . 75.34 109.845 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.453 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 59.2 mmtt -63.38 -50.37 70.16 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.775 -0.454 . . . . 72.35 109.775 177.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.701 HG12 ' CZ ' ' A' ' 52' ' ' PHE . 47.5 t -55.14 -41.81 62.02 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 CA-C-N 115.833 -0.621 . . . . 72.35 110.618 179.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.565 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 11.0 m-30 -62.78 -52.01 64.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.157 -0.474 . . . . 73.31 109.772 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.439 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 11.2 mm100 -49.48 -45.44 46.9 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 113.45 0.907 . . . . 61.5 113.45 -172.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.557 HD13 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -89.97 -43.98 10.19 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 112.111 0.411 . . . . 74.32 112.111 -175.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.557 ' H ' HD13 ' A' ' 12' ' ' LEU . 26.7 mt -65.01 -43.29 93.0 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.132 0.419 . . . . 65.34 112.132 -175.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.572 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 62.9 pttt -64.25 -23.65 67.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.276 0.56 . . . . 63.21 110.108 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -79.77 -41.8 25.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.564 -0.743 . . . . 73.34 110.808 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.422 HE22 ' HB3' ' A' ' 90' ' ' LEU . 6.3 mt-30 -65.2 -34.52 78.57 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.552 0.691 . . . . 73.42 109.842 179.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.575 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 126.37 39.9 0.39 Allowed Glycine 0 N--CA 1.435 -1.381 0 CA-C-N 115.084 -0.962 . . . . 71.4 112.05 -178.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.572 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.8 t -125.96 139.18 53.65 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.28 -0.568 . . . . 64.51 111.073 172.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -124.17 -6.63 7.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.512 0.672 . . . . 75.52 109.553 168.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.585 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 25.4 t70 -92.4 81.01 4.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.443 -0.799 . . . . 71.23 110.959 -174.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.556 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 18.3 p90 -166.65 160.03 14.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.265 -0.88 . . . . 75.31 110.65 177.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.44 167.53 32.6 Favored Glycine 0 CA--C 1.517 0.211 0 N-CA-C 111.71 -0.556 . . . . 42.14 111.71 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.5 p -94.01 151.02 19.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 117.057 0.429 . . . . 73.22 111.431 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.553 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.872 -0.604 . . . . 75.52 109.814 173.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 . . . . . 0 N--CA 1.447 -0.589 0 CA-C-O 120.941 0.4 . . . . 71.43 110.273 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.461 ' CE2' ' HB ' ' A' ' 67' ' ' VAL . 21.2 m-30 -80.54 110.09 15.68 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.818 -0.628 . . . . 64.53 110.097 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.5 72.34 2.85 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.916 -0.659 . . . . 72.43 111.852 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.542 ' HB3' ' SD ' ' A' ' 74' ' ' MET . 12.3 m-85 -69.31 134.52 49.2 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.106 -0.331 . . . . 73.5 110.106 175.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.538 ' HB2' ' HE3' ' A' ' 24' ' ' LYS . 1.9 m -154.19 161.14 42.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.785 0.326 . . . . 73.24 110.687 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.701 ' CZ ' HG12 ' A' ' 9' ' ' VAL . 32.0 t80 -116.67 123.79 48.14 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.147 -0.479 . . . . 74.51 110.111 173.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.553 ' CE1' ' HG2' ' A' ' 24' ' ' LYS . 5.3 m-85 -95.86 134.71 38.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.413 -0.812 . . . . 71.54 111.765 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.556 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -135.04 108.41 7.81 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.43 -0.804 . . . . 64.44 108.974 171.445 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.585 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 13.1 m-70 62.78 30.29 16.72 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.952 0.406 . . . . 73.24 111.845 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.92 -4.74 84.71 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.534 -0.841 . . . . 51.42 112.563 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -97.55 169.81 9.46 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.42 -0.585 . . . . 75.05 109.42 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.7 mm -105.73 118.57 53.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.398 0.618 . . . . 71.25 110.944 -178.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.511 HG12 ' HB2' ' A' ' 89' ' ' LEU . 84.7 t -94.76 -41.68 12.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.407 -0.815 . . . . 72.32 109.891 176.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.517 ' HB1' ' HG ' ' A' ' 78' ' ' LEU . . . -129.71 148.34 51.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.939 -0.573 . . . . 74.34 111.138 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -146.29 135.07 22.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.069 -0.514 . . . . 73.41 109.771 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -151.46 97.87 0.18 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.572 -0.611 . . . . 74.43 111.572 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 37.9 ttpt -98.55 123.93 43.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.698 0.285 . . . . 74.43 110.655 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.531 ' HB2' ' HB3' ' A' ' 70' ' ' ALA . 57.4 m -153.47 160.15 42.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.803 0.335 . . . . 74.13 110.769 178.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.443 ' HG3' ' HG2' ' A' ' 66' ' ' LYS . 6.9 ptp180 -78.11 -20.05 52.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.271 0.558 . . . . 73.13 109.587 176.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.573 ' HE2' ' HA ' ' A' ' 66' ' ' LYS . 9.8 mmpt? -102.56 122.78 45.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.47 -0.786 . . . . 74.24 108.988 175.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.517 HG23 ' CE2' ' A' ' 50' ' ' PHE . 3.9 p -55.81 -41.17 65.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 O-C-N 123.177 0.298 . . . . 73.3 111.262 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.9 97.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.322 -0.399 . . . . 74.4 111.116 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -68.87 -43.98 74.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 63.0 110.249 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' ' 64' ' ' SER . . . -59.07 -49.36 78.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.63 -0.714 . . . . 73.01 111.197 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 67' ' ' VAL . 49.1 mtmt -59.28 -42.7 91.89 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 115.982 -0.554 . . . . 72.25 110.12 177.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -55.5 -46.78 76.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.446 -0.797 . . . . 71.12 110.94 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.499 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 54.7 mt -60.37 -56.41 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.455 -0.793 . . . . 74.34 111.366 -177.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.542 ' SD ' ' HB3' ' A' ' 50' ' ' PHE . 3.4 ptt? -62.51 -39.81 94.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.315 -0.402 . . . . 75.0 110.898 -176.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.548 ' HA ' HG23 ' A' ' 5' ' ' ILE . 63.7 mttm -60.83 -45.87 92.79 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.51 0.195 . . . . 71.13 111.08 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -63.2 -22.02 66.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.422 -0.354 . . . . 71.01 111.594 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.527 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 21.7 mmm180 -65.06 -62.24 1.67 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.264 -0.273 . . . . 70.14 110.264 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.833 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -64.96 -33.58 76.38 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.606 -0.438 . . . . 63.04 110.68 177.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -52.77 -49.74 64.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.926 -0.579 . . . . 74.32 109.867 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -32.84 74.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.92 -0.582 . . . . 74.41 110.006 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 89.7 mt -69.94 -37.56 75.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.956 -0.566 . . . . 75.33 111.343 -176.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.47 ' HA ' HD13 ' A' ' 90' ' ' LEU . 1.5 pp -82.12 -24.62 35.03 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.945 -0.302 . . . . 73.51 111.414 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -68.75 -45.12 72.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.482 0.658 . . . . 75.12 110.237 173.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -89.93 -17.88 27.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.251 -0.886 . . . . 73.41 110.832 -174.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.441 ' HA ' ' CD1' ' A' ' 90' ' ' LEU . 14.6 mmmm 68.71 39.49 1.98 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.316 -0.856 . . . . 73.33 110.748 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.8 m -75.83 141.33 42.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.525 -0.761 . . . . 73.15 109.816 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 7.4 p30 -69.79 -6.25 30.96 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.216 0.45 . . . . 74.23 112.216 -174.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.39 -34.06 73.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.941 0.401 . . . . 74.22 111.394 -174.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.833 HD23 ' HB3' ' A' ' 78' ' ' LEU . 29.1 tp -109.65 -23.77 11.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.274 0.559 . . . . 75.43 110.438 175.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 82' ' ' LEU . 7.5 mt -111.88 21.1 16.34 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.584 -0.735 . . . . 73.35 112.485 -166.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.419 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 28.5 p90 -67.73 159.13 30.78 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.149 0.499 . . . . 74.35 111.253 -178.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.8 p -85.71 131.68 34.28 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.442 -0.799 . . . . 71.54 111.38 -176.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 18.9 p -135.55 171.83 13.88 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.992 -1.004 . . . . 74.12 109.332 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -111.27 66.37 0.63 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.899 -0.321 . . . . 74.21 111.144 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.575 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 24.4 m . . . . . 0 CA--C 1.529 0.163 0 C-N-CA 120.201 -0.6 . . . . 55.35 110.598 172.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.575 ' SD ' ' HD2' ' A' ' 8' ' ' LYS . 65.6 mtt . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 109.448 -0.575 . . . . 72.21 109.448 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -133.17 122.5 24.11 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.414 0.524 . . . . 75.41 112.414 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.86 -117.82 4.87 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 115.033 0.773 . . . . 64.33 115.033 163.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 3.4 p30 -54.12 110.49 0.61 Allowed 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.752 1.019 . . . . 73.31 113.752 -168.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.572 HG23 ' HA ' ' A' ' 75' ' ' LYS . 5.0 tp -70.27 -34.61 59.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.053 -0.521 . . . . 73.24 110.769 -177.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.435 ' OE2' HG22 ' A' ' 5' ' ' ILE . 1.9 mp0 -59.52 -45.71 90.97 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 110.06 -0.348 . . . . 75.22 110.06 -176.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.583 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 27.3 m170 -61.12 -41.23 96.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.057 -0.519 . . . . 75.4 110.498 178.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.575 ' HD2' ' SD ' ' A' ' 1' ' ' MET . 30.7 mmtt -61.59 -50.02 74.28 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 109.652 -0.499 . . . . 75.34 109.652 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.754 HG12 ' CZ ' ' A' ' 52' ' ' PHE . 58.0 t -52.29 -48.44 44.12 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 CA-C-N 115.733 -0.667 . . . . 65.35 110.68 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.598 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 13.4 m-30 -63.1 -48.24 79.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.024 -0.534 . . . . 71.41 109.734 -178.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 14.1 mm100 -48.31 -45.81 35.52 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.917 0.71 . . . . 72.41 112.917 -173.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.49 HD11 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -92.5 -44.08 8.83 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.701 -0.4 . . . . 64.11 111.735 -177.311 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.542 HD22 ' NH2' ' A' ' 54' ' ' ARG . 16.0 mt -62.36 -46.09 90.22 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.783 0.66 . . . . 75.44 112.783 -175.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.648 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 20.3 pttp -65.31 -22.65 66.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.284 0.564 . . . . 70.23 109.839 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.58 -17.65 28.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.527 -0.761 . . . . 73.42 111.119 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 16.7 mt-30 -80.65 -9.7 59.77 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 121.551 0.691 . . . . 64.45 109.473 173.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.658 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 94.83 35.79 5.74 Favored Glycine 0 N--CA 1.435 -1.404 0 CA-C-N 115.124 -0.944 . . . . 61.21 111.315 -175.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.648 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 4.9 t -119.74 140.6 50.45 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.541 -0.464 . . . . 73.11 110.895 174.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.437 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -127.64 -6.32 5.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.114 0.483 . . . . 53.42 110.701 170.852 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -94.39 83.9 4.26 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.92 -0.582 . . . . 72.04 111.087 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.65 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 14.3 p90 -167.56 160.32 12.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.138 -0.937 . . . . 74.21 110.703 176.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.56 170.3 32.19 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.605 -0.598 . . . . 42.41 111.605 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.4 HG23 ' HE1' ' A' ' 74' ' ' MET . 42.7 p -93.47 147.53 22.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.323 0.562 . . . . 72.21 111.358 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.479 ' HG3' ' HB2' ' A' ' 51' ' ' SER . 0.0 OUTLIER -116.04 143.3 45.65 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.876 -0.787 . . . . 74.31 108.876 173.304 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.5 m -130.92 90.84 2.96 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.981 0.42 . . . . 64.41 110.25 -178.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.5 p -112.68 143.17 22.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.029 -0.532 . . . . 73.32 109.707 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.8 mt -86.99 126.1 40.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-O 121.267 0.556 . . . . 74.43 110.943 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -110.6 92.92 4.23 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.152 -0.931 . . . . 74.23 109.043 175.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.702 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -76.17 134.93 39.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.332 -0.849 . . . . 74.42 110.546 -178.4 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.5 t -88.33 103.63 13.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.345 0.593 . . . . 74.41 109.601 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.848 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -82.63 90.72 6.85 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.679 0.752 . . . . 75.4 111.067 -175.67 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.7 t -93.58 2.26 56.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.358 -0.837 . . . . 62.23 108.968 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.1 m -90.04 127.69 36.12 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.935 -1.03 . . . . 65.01 110.55 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -87.53 -54.86 4.05 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.313 -0.625 . . . . 61.34 109.313 176.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -133.67 167.45 20.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.364 -0.834 . . . . 74.33 109.061 174.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.1 t -145.19 171.7 14.16 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.911 -0.316 . . . . 74.41 110.96 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.6 mt -105.72 -4.1 21.35 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.285 0.476 . . . . 73.34 112.285 -172.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.548 HD12 ' HB2' ' A' ' 42' ' ' LEU . 1.2 pt? -125.16 -176.19 3.5 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.801 -0.444 . . . . 74.33 109.801 177.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -48.74 -64.28 0.85 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.414 0.626 . . . . 74.12 110.974 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.9 161.92 36.12 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.153 -0.931 . . . . 72.05 109.112 175.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -54.86 96.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.692 0.62 . . . . 74.43 110.595 177.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.548 ' HB2' HD12 ' A' ' 38' ' ' LEU . 66.7 tp -34.5 -60.97 0.41 Allowed 'General case' 0 N--CA 1.465 0.288 0 O-C-N 124.681 1.238 . . . . 71.22 111.662 178.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -147.26 103.26 3.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.67 -0.695 . . . . 72.12 109.392 172.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -97.87 -177.32 3.72 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.498 -0.556 . . . . 74.34 109.498 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.4 m -74.47 96.03 2.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.575 0.702 . . . . 61.13 110.299 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.702 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -105.98 156.95 17.88 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.125 -0.943 . . . . 75.44 110.469 -177.192 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -131.38 139.83 49.55 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.181 -0.463 . . . . 70.24 110.487 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.475 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 5.6 m-30 -81.06 107.25 13.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.017 -0.538 . . . . 74.51 110.034 178.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.74 77.1 2.15 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.762 -0.535 . . . . 71.41 111.762 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.405 ' C ' ' HG ' ' A' ' 51' ' ' SER . 6.7 m-85 -73.05 132.71 43.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.84 0.352 . . . . 74.12 110.098 176.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.479 ' HB2' ' HG3' ' A' ' 24' ' ' LYS . 9.0 m -149.46 153.81 37.85 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.502 -0.317 . . . . 74.2 110.332 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.754 ' CZ ' HG12 ' A' ' 9' ' ' VAL . 37.1 t80 -110.33 124.75 52.26 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.908 -0.405 . . . . 73.22 109.908 174.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.463 ' CE1' ' HG2' ' A' ' 24' ' ' LYS . 3.5 m-85 -99.21 138.24 36.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.279 -0.873 . . . . 73.25 111.035 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.65 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -146.31 102.44 3.6 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.401 -0.963 . . . . 71.11 108.401 176.719 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 63.76 36.04 10.85 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.095 -0.502 . . . . 71.42 111.742 -173.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.28 -3.23 67.54 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.693 -0.765 . . . . 63.41 112.868 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -93.33 169.87 10.05 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.847 -0.427 . . . . 74.41 109.847 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.4 mm -108.07 111.9 37.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 115.556 -0.747 . . . . 72.24 110.162 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.532 HG13 HD13 ' A' ' 89' ' ' LEU . 93.7 t -91.68 -37.51 9.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 114.932 -1.031 . . . . 75.35 109.927 177.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.62 142.92 47.04 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.75 -0.659 . . . . 70.24 110.763 -178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -142.47 133.17 25.39 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.645 -0.502 . . . . 73.21 109.645 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.88 95.23 0.14 Allowed Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 111.713 -0.555 . . . . 71.51 111.713 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 33.5 ttpt -97.6 125.56 42.4 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 120.952 0.406 . . . . 62.13 110.833 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.0 m -151.57 160.57 43.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.151 -0.477 . . . . 72.21 110.476 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -74.59 -26.6 60.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.563 0.697 . . . . 73.31 109.209 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -96.75 124.27 40.68 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.787 -1.097 . . . . 74.5 109.564 177.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.402 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 11.6 p -55.51 -40.4 58.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.856 0.36 . . . . 70.22 110.893 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.69 94.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 73.13 111.644 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.43 ' C ' HD21 ' A' ' 69' ' ' ASN . 0.2 OUTLIER -68.51 -42.69 78.19 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.638 -0.504 . . . . 73.22 109.638 -178.525 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.73 -48.9 78.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.782 -0.644 . . . . 74.14 110.915 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 67' ' ' VAL . 52.4 mtmt -60.68 -43.03 98.22 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.972 -0.558 . . . . 73.14 110.57 176.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -54.42 -48.42 71.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.608 -0.724 . . . . 73.35 111.531 -176.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.5 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 41.1 mt -60.47 -53.06 54.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.669 -0.696 . . . . 64.34 111.323 -176.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.3 ptt? -62.59 -39.5 93.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.391 -0.368 . . . . 72.24 110.542 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.572 ' HA ' HG23 ' A' ' 5' ' ' ILE . 54.6 mttm -56.79 -47.27 80.57 Favored 'General case' 0 C--O 1.227 -0.131 0 CA-C-O 120.749 0.309 . . . . 73.22 110.884 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -69.18 -15.2 63.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.14 -0.482 . . . . 74.43 111.725 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 19.2 mmm-85 -69.4 -64.53 0.86 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.512 -0.181 . . . . 73.15 110.512 177.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.783 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -63.75 -30.84 71.89 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 120.789 -0.364 . . . . 74.15 110.285 178.297 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -52.79 -48.03 67.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.853 -0.612 . . . . 72.0 109.802 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -29.25 68.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.954 -0.566 . . . . 73.11 110.916 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.466 HD23 ' HB2' ' A' ' 86' ' ' SER . 80.8 mt -73.61 -39.89 64.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.479 -0.328 . . . . 74.35 111.416 -175.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.514 ' HA ' HD12 ' A' ' 90' ' ' LEU . 1.0 OUTLIER -78.17 -25.96 47.43 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.709 -0.396 . . . . 73.32 111.001 178.018 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -75.74 -43.26 47.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.041 0.448 . . . . 73.14 110.939 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -88.9 -16.15 32.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.723 -0.671 . . . . 75.24 110.663 -175.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 66.13 43.72 2.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.275 -0.875 . . . . 71.43 111.176 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.466 ' HB2' HD23 ' A' ' 81' ' ' LEU . 9.3 m -81.97 128.27 33.9 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.312 -0.858 . . . . 50.54 108.934 175.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.45 -0.17 3.51 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.171 0.804 . . . . 73.44 113.171 -171.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.467 ' H ' HD23 ' A' ' 88' ' ' LEU . 2.5 mm? -63.08 -35.04 78.92 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.857 0.36 . . . . 74.22 111.33 -176.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.783 HD23 ' HB3' ' A' ' 78' ' ' LEU . 18.8 tp -105.05 -25.95 12.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.307 0.575 . . . . 75.52 110.614 176.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 82' ' ' LEU . 12.1 mt -106.25 13.99 28.11 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.331 0.863 . . . . 73.42 113.331 -165.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -70.55 159.78 33.68 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-O 121.289 0.566 . . . . 74.53 111.537 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.8 m -85.32 148.66 25.93 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.01 -0.996 . . . . 63.32 109.805 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 32.0 p -146.4 -176.21 5.08 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.137 -0.483 . . . . 75.44 110.797 -174.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -105.18 40.61 1.49 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 113.187 0.81 . . . . 74.24 113.187 -175.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.658 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 85.0 m -80.5 -3.58 50.61 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 119.192 -1.003 . . . . 72.41 109.939 172.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.623 ' HD2' ' HA3' ' A' ' 17' ' ' GLY . 19.7 ptmt -134.18 -57.5 0.85 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.658 -0.701 . . . . 73.5 110.468 177.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.542 ' CE1' ' HE2' ' A' ' 96' ' ' LYS . 11.1 p90 -160.9 -168.05 1.99 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.98 -0.378 . . . . 61.31 109.98 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.2 m -68.8 -167.22 0.09 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.969 0.89 . . . . 74.34 112.763 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -134.96 170.08 16.42 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 114.744 -1.116 . . . . 75.52 110.098 -171.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.462 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 2.1 tpmt? -143.99 129.14 18.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.726 0.298 . . . . 73.25 110.538 -177.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.556 -0.735 . . . . 71.41 109.912 175.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 121.282 0.563 . . . . 74.35 110.421 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -143.59 -78.9 0.21 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.498 -0.774 . . . . 74.32 108.939 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -110.04 46.65 1.14 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 111.07 -0.812 . . . . 70.34 111.07 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.432 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 8.5 p-10 -136.74 5.33 2.87 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.37 0.507 . . . . 75.43 112.37 -175.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.68 HG23 ' HG2' ' A' ' 75' ' ' LYS . 5.7 tp -67.81 -30.92 50.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.204 -0.665 . . . . 74.53 109.204 177.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -63.66 -41.35 98.2 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.096 -0.956 . . . . 73.41 108.45 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.472 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 8.3 t-80 -60.21 -40.96 91.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.244 -0.889 . . . . 63.34 109.886 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 66.7 mmtt -62.68 -48.74 77.97 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.148 -0.478 . . . . 74.54 110.026 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.768 HG12 ' CZ ' ' A' ' 52' ' ' PHE . 35.8 t -55.23 -43.94 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 115.925 -0.579 . . . . 74.12 110.362 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.418 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 12.5 m-30 -62.08 -51.36 68.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.023 -0.535 . . . . 74.0 109.812 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 12.1 mm100 -46.6 -44.95 18.6 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.218 0.822 . . . . 75.44 113.218 -172.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.407 HD11 ' H ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -92.15 -42.56 9.84 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.858 -0.337 . . . . 74.3 111.657 -176.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.5 HD21 ' O ' ' A' ' 89' ' ' LEU . 20.7 mt -64.15 -45.16 89.69 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.539 0.57 . . . . 74.14 112.539 -176.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -62.99 -27.32 69.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.192 0.52 . . . . 74.04 109.687 178.637 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -82.58 -23.59 34.36 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.472 -0.785 . . . . 73.2 110.196 -175.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -81.35 -6.98 59.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.508 -0.769 . . . . 73.12 109.303 173.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.584 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 90.73 33.35 8.47 Favored Glycine 0 N--CA 1.439 -1.154 0 CA-C-N 115.333 -0.849 . . . . 74.44 111.8 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 5.0 t -110.72 139.1 46.31 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.642 -0.423 . . . . 71.01 110.165 175.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.43 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -124.2 -9.63 7.59 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.477 0.656 . . . . 71.35 109.617 168.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.41 ' OD1' ' HA ' ' A' ' 55' ' ' HIS . 10.2 t0 -85.05 80.47 9.26 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.111 -0.949 . . . . 72.22 110.822 -175.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -169.75 157.15 6.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.215 -0.902 . . . . 74.34 110.462 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.8 165.47 29.03 Favored Glycine 0 C--O 1.226 -0.389 0 C-N-CA 120.973 -0.632 . . . . 71.34 112.016 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.0 p -91.61 153.17 19.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.958 0.379 . . . . 75.41 111.036 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.524 ' HE3' ' HB2' ' A' ' 51' ' ' SER . 0.0 OUTLIER -134.27 144.6 48.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.865 0.364 . . . . 73.23 110.255 172.73 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.9 t -133.65 94.83 3.36 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.011 -0.54 . . . . 62.03 109.824 177.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.444 HG13 ' HZ1' ' A' ' 24' ' ' LYS . 8.5 p -121.54 136.23 59.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.97 -0.559 . . . . 64.4 109.508 178.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.1 mt -69.07 128.7 32.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.274 0.559 . . . . 74.31 111.131 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -113.78 97.15 6.23 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 108.76 -0.83 . . . . 72.34 108.76 175.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.496 ' HB2' HD13 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -81.31 148.95 29.15 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.495 -0.775 . . . . 74.13 110.858 -173.779 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.9 t -114.86 139.16 42.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.754 -0.657 . . . . 63.44 109.936 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.734 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -75.43 63.47 1.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.48 0.657 . . . . 75.24 110.925 179.759 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.8 p -91.58 -57.99 2.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.914 -0.585 . . . . 70.32 111.305 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 m -82.67 37.81 0.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.912 -0.586 . . . . 74.11 111.676 -174.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -81.51 62.92 5.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 122.053 0.93 . . . . 72.2 109.858 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.64 22.67 10.5 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.175 -1.417 . . . . 74.13 107.175 176.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.838 HG21 ' HA ' ' A' ' 41' ' ' GLU . 1.3 p -84.67 150.69 24.96 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 113.631 -1.622 . . . . 70.04 112.862 -168.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.1 mt -108.82 -9.49 15.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.459 -0.791 . . . . 74.12 110.898 175.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.538 HD23 ' HB ' ' A' ' 36' ' ' THR . 2.6 pt? -89.76 -169.23 2.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.002 -0.545 . . . . 75.23 110.433 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -49.95 -80.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.811 0.694 . . . . 62.11 111.802 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.24 -165.24 1.07 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.85 -0.614 . . . . 74.21 109.612 176.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.838 ' HA ' HG21 ' A' ' 36' ' ' THR . 4.6 mp0 -81.08 102.76 10.44 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.85 -0.796 . . . . 70.4 108.85 173.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.4 tt -36.86 -52.92 0.94 Allowed 'General case' 0 N--CA 1.467 0.409 0 O-C-N 124.153 0.908 . . . . 74.34 110.5 175.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -151.55 130.45 12.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.833 -0.621 . . . . 73.34 110.327 171.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.496 HD13 ' HB2' ' A' ' 29' ' ' GLU . 1.4 pp -127.88 -178.64 4.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.91 -0.586 . . . . 71.55 110.511 177.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.7 m -77.19 100.76 5.91 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.343 0.592 . . . . 72.13 109.995 176.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -102.78 156.52 17.58 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.406 -0.816 . . . . 72.13 109.488 -179.204 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.521 ' HB3' ' HG2' ' A' ' 63' ' ' LYS . 45.5 m-85 -125.82 149.52 48.56 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.952 0.406 . . . . 64.5 110.684 -178.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -85.91 109.21 18.57 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.821 -0.627 . . . . 71.23 109.662 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.41 74.74 2.45 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.755 -0.657 . . . . 74.54 111.921 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.411 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 2.3 m-85 -74.8 133.78 41.89 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.179 -0.304 . . . . 70.31 110.179 177.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.524 ' HB2' ' HE3' ' A' ' 24' ' ' LYS . 3.0 m -154.5 152.64 30.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.5 -0.318 . . . . 64.45 110.793 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.768 ' CZ ' HG12 ' A' ' 9' ' ' VAL . 26.3 t80 -107.29 119.61 39.87 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 109.286 -0.635 . . . . 73.51 109.286 170.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.498 ' CE1' ' HG2' ' A' ' 24' ' ' LYS . 1.9 m-85 -91.1 144.91 25.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.594 -0.73 . . . . 73.43 111.447 -177.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' HB3' HG21 ' A' ' 59' ' ' VAL . 13.8 tpt180 -148.73 104.09 3.44 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.96 -1.018 . . . . 74.03 109.728 -178.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.41 ' HA ' ' OD1' ' A' ' 20' ' ' ASP . 8.2 m-70 60.16 25.0 14.32 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.8 0.333 . . . . 73.3 111.653 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.95 -12.48 69.84 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.558 -0.83 . . . . 42.43 112.226 -177.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -90.68 178.09 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.697 -0.483 . . . . 74.52 109.697 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.514 HD13 ' HB3' ' A' ' 51' ' ' SER . 20.9 mm -116.32 119.92 63.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.08 -0.509 . . . . 74.4 110.625 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.444 HG21 ' HB3' ' A' ' 54' ' ' ARG . 64.7 t -96.57 -39.18 8.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.683 -0.689 . . . . 73.44 110.337 176.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.517 ' HB1' ' HG ' ' A' ' 78' ' ' LEU . . . -130.02 140.84 50.81 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.008 -0.542 . . . . 74.24 110.566 178.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -141.65 145.49 35.03 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.405 -0.361 . . . . 73.55 110.247 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.56 99.38 0.18 Allowed Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 111.431 -0.667 . . . . 75.33 111.431 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.521 ' HG2' ' HB3' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -92.91 115.96 28.61 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.736 -0.468 . . . . 74.35 109.736 177.755 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.496 ' HB2' ' HB1' ' A' ' 70' ' ' ALA . 60.6 m -142.88 162.12 36.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.806 0.336 . . . . 61.35 110.857 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.9 mtp-105 -77.75 -21.2 52.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.148 0.499 . . . . 74.32 109.78 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.441 ' HD2' ' HA ' ' A' ' 66' ' ' LYS . 31.0 tptt -109.34 132.94 53.65 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.502 -0.772 . . . . 74.12 110.278 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.7 -41.46 47.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.603 -0.726 . . . . 72.33 111.764 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.59 -34.34 53.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.334 -0.394 . . . . 74.04 112.052 -173.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -68.89 -42.28 77.15 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.342 -0.614 . . . . 74.2 109.342 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.496 ' HB1' ' HB2' ' A' ' 64' ' ' SER . . . -58.12 -44.49 87.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.175 -0.92 . . . . 64.44 110.682 176.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.499 ' HB3' ' CE ' ' A' ' 75' ' ' LYS . 65.2 mttm -55.27 -51.13 67.64 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 115.666 -0.697 . . . . 75.32 110.523 173.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -52.68 -46.79 67.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.103 -0.953 . . . . 73.45 111.365 -174.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.449 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 44.1 mt -61.04 -55.16 26.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.579 -0.737 . . . . 64.32 111.487 -177.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.505 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 3.8 ptt? -63.95 -41.95 97.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.41 -0.359 . . . . 74.41 110.758 -177.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.68 ' HG2' HG23 ' A' ' 5' ' ' ILE . 56.8 mttm -58.55 -45.54 88.73 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 120.626 0.25 . . . . 64.32 111.097 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -64.88 -22.54 67.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.311 -0.404 . . . . 75.31 111.605 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 16.9 mmm180 -64.32 -67.04 0.46 Allowed 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 121.24 -0.184 . . . . 75.14 110.886 177.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.517 ' HG ' ' HB1' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -64.4 -31.05 72.1 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.237 -0.585 . . . . 73.53 110.95 179.515 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -53.51 -50.35 65.61 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.741 -0.466 . . . . 70.12 109.741 177.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -66.44 -29.89 70.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.284 -0.417 . . . . 73.11 111.04 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 94.8 mt -70.9 -37.5 72.97 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.502 0.186 . . . . 73.12 111.502 -177.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.489 HD21 HD13 ' A' ' 5' ' ' ILE . 2.0 pp -82.71 -13.14 56.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.345 . . . . 71.51 111.265 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -92.2 -42.81 9.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.109 0.481 . . . . 73.32 110.48 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -83.11 -18.14 40.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.859 -0.609 . . . . 74.41 110.004 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm 66.64 44.94 2.12 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.982 -1.008 . . . . 75.43 111.029 178.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.8 m -85.04 139.88 31.42 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.182 -0.917 . . . . 64.12 110.145 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -68.01 -9.06 42.74 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.315 0.487 . . . . 64.23 112.315 -174.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.477 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -57.13 -37.81 72.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.76 0.314 . . . . 72.13 111.791 -176.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.533 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 5.3 tp -108.56 -15.33 14.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.438 0.637 . . . . 73.54 110.469 177.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.5 mt -113.0 19.1 17.55 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 112.898 0.703 . . . . 75.02 112.898 -170.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -72.3 158.92 34.92 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.731 -0.388 . . . . 72.42 111.33 -177.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.5 m -82.3 141.76 32.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.74 -0.664 . . . . 52.45 110.275 177.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.8 p -142.79 174.52 10.58 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.371 -0.377 . . . . 64.51 110.841 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.466 ' HB2' ' OG ' ' A' ' 98' ' ' SER . 3.4 t-20 -108.05 73.4 0.89 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.305 -0.407 . . . . 75.23 111.642 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 73.6 m -101.1 -1.13 34.86 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 119.735 -0.786 . . . . 70.35 110.617 166.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.459 ' CD ' ' HA3' ' A' ' 17' ' ' GLY . 20.4 ptmt -150.98 -47.81 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.841 -0.618 . . . . 75.12 109.849 175.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.45 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 32.7 p90 -160.37 166.8 28.7 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.399 -0.963 . . . . 73.43 108.399 174.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.466 ' OG ' ' HB2' ' A' ' 94' ' ' ASN . 55.3 p -178.34 175.91 1.13 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 123.608 0.568 . . . . 74.31 110.782 173.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.462 ' HE3' ' HB2' ' A' ' 99' ' ' LYS . 18.2 mtmt -101.54 129.19 47.57 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.998 -1.001 . . . . 75.35 110.161 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -78.22 137.11 37.96 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.258 -0.428 . . . . 74.2 109.995 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.411 -0.804 . . . . 75.4 110.083 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.7 mmm . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.727 0.299 . . . . 74.44 110.647 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.417 ' HD2' HD23 ' A' ' 79' ' ' LEU . 73.1 mmtt -82.41 97.57 8.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.84 -0.8 . . . . 73.53 108.84 175.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -127.52 -64.84 0.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.219 -0.991 . . . . 52.5 113.096 -177.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -77.96 72.47 4.5 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.649 0.738 . . . . 72.51 110.897 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.585 HG22 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -64.7 -32.61 58.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.144 -0.935 . . . . 72.13 109.827 -179.79 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.542 ' O ' ' HD1' ' A' ' 10' ' ' TYR . 1.9 mp0 -56.99 -44.97 83.27 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.567 -0.742 . . . . 74.42 110.292 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.662 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 52.9 m170 -59.33 -42.86 92.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.333 -0.394 . . . . 74.31 110.469 178.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -60.88 -48.65 80.86 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.337 -0.392 . . . . 73.24 111.021 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.644 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 48.9 t -57.81 -39.84 72.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.001 -0.545 . . . . 70.0 110.776 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.542 ' HD1' ' O ' ' A' ' 6' ' ' GLU . 28.4 m-85 -69.0 -39.84 79.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.548 -0.296 . . . . 73.41 110.957 178.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.662 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 24.9 mm-40 -52.43 -45.39 65.96 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.495 0.554 . . . . 75.31 112.495 -175.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.519 HD13 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -94.82 -42.79 8.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.452 0.538 . . . . 71.44 112.452 -175.48 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.519 ' H ' HD13 ' A' ' 12' ' ' LEU . 20.1 mt -61.99 -42.39 99.09 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.367 0.506 . . . . 74.32 112.367 -175.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 19.2 pttp -63.54 -29.06 70.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.073 0.464 . . . . 73.4 109.839 178.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.36 -21.18 39.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.747 -0.66 . . . . 75.52 111.188 -178.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -84.52 -1.87 56.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.585 0.707 . . . . 74.53 109.625 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.571 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 90.1 32.17 10.07 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-N 115.19 -0.914 . . . . 70.33 111.921 177.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.526 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 5.0 t -114.02 140.4 48.47 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.686 -0.406 . . . . 62.32 110.152 176.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -125.97 -4.39 6.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.295 0.569 . . . . 74.2 110.102 171.075 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -93.39 83.59 4.59 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.772 -0.649 . . . . 71.13 110.474 -175.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.408 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 20.0 p90 -170.34 149.0 3.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.254 -0.884 . . . . 75.41 110.417 176.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.05 -178.71 48.44 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.41 -0.676 . . . . 71.32 111.41 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -109.72 150.25 28.58 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 117.447 0.623 . . . . 62.04 111.061 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.515 ' HG2' ' HB3' ' A' ' 51' ' ' SER . 44.6 pttt -110.15 142.19 42.0 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.011 -0.737 . . . . 74.51 109.011 171.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.1 p -131.81 62.07 1.64 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.555 0.693 . . . . 64.3 109.59 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.5 p -103.95 142.85 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.455 -0.793 . . . . 74.43 109.902 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.5 mt -76.39 125.64 36.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.483 0.659 . . . . 74.35 110.797 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -117.3 98.39 6.41 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.973 -1.012 . . . . 71.52 108.648 177.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.518 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.6 OUTLIER -77.77 161.31 27.78 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.471 -0.786 . . . . 73.01 111.126 -173.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.1 t -120.29 111.23 31.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 109.119 -0.696 . . . . 74.21 109.119 176.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -51.85 106.38 0.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.769 -0.651 . . . . 72.12 111.281 -176.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.0 m -79.34 122.7 26.7 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.392 -0.822 . . . . 74.42 109.603 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.6 t -87.25 91.87 8.87 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.013 0.435 . . . . 75.35 110.633 -175.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -165.38 173.99 10.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.785 -0.643 . . . . 71.42 109.453 175.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -99.15 107.42 19.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.685 0.278 . . . . 71.24 110.297 175.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.6 t -78.41 162.02 26.72 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.463 -0.569 . . . . 75.13 109.463 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.62 16.43 9.09 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.463 0.542 . . . . 74.54 112.463 -172.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.751 HD11 ' HB2' ' A' ' 42' ' ' LEU . 1.1 pt? -141.32 177.0 8.4 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.614 -0.434 . . . . 75.42 110.915 175.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.427 ' HB3' ' H ' ' A' ' 40' ' ' THR . 6.7 t30 -48.46 -75.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.961 -1.018 . . . . 72.42 112.178 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.427 ' H ' ' HB3' ' A' ' 39' ' ' ASN . 4.0 m -106.75 143.55 34.69 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.041 -0.982 . . . . 63.13 108.667 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -55.11 99.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.239 0.542 . . . . 74.43 110.426 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.751 ' HB2' HD11 ' A' ' 38' ' ' LEU . 48.7 tp -44.08 -52.4 7.2 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 114.964 -1.017 . . . . 52.13 111.377 -178.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -152.12 93.18 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.821 -0.627 . . . . 72.23 109.344 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -87.05 -177.63 6.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.148 -0.478 . . . . 72.32 110.553 -177.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.6 m -66.07 107.11 1.79 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.078 0.466 . . . . 71.5 109.957 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -125.43 152.41 44.9 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.825 -0.625 . . . . 70.21 109.917 -177.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -130.41 146.53 51.99 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.231 -0.441 . . . . 75.2 109.859 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -77.85 113.12 15.42 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.033 -0.53 . . . . 71.24 109.776 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.79 81.58 1.72 Allowed Glycine 0 N--CA 1.441 -1.013 0 CA-C-N 115.825 -0.625 . . . . 75.51 111.624 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.41 ' CE1' ' HG3' ' A' ' 71' ' ' LYS . 5.4 m-85 -84.4 130.65 34.76 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.667 -0.494 . . . . 74.1 109.667 174.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.604 ' OG ' HD12 ' A' ' 58' ' ' ILE . 6.4 t -158.51 149.85 20.86 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.181 -0.463 . . . . 73.13 109.932 -177.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.644 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 35.9 t80 -104.24 122.35 45.2 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 110.025 -0.361 . . . . 74.14 110.025 177.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -93.41 138.75 31.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.051 -0.977 . . . . 70.24 110.985 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' HB3' HG21 ' A' ' 59' ' ' VAL . 13.5 tpt180 -140.19 104.11 4.74 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.192 -0.913 . . . . 71.34 109.339 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 63.13 25.18 14.79 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.247 0.342 . . . . 74.2 111.367 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.16 3.61 82.22 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.611 -0.805 . . . . 55.34 112.125 -177.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -105.51 175.6 5.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.496 -0.557 . . . . 63.41 109.496 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.604 HD12 ' OG ' ' A' ' 51' ' ' SER . 28.8 mm -112.68 120.93 63.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.128 0.49 . . . . 70.04 111.101 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.482 HG21 ' HB3' ' A' ' 54' ' ' ARG . 59.3 t -100.43 -40.94 8.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.319 -0.855 . . . . 73.51 110.205 176.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.511 ' HB1' ' HG ' ' A' ' 78' ' ' LEU . . . -128.36 142.48 51.11 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 116.178 -0.465 . . . . 75.51 110.525 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -142.73 136.53 29.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.078 -0.342 . . . . 75.25 110.078 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.417 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -150.33 100.02 0.2 Allowed Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 111.229 -0.748 . . . . 64.02 111.229 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -99.96 120.91 40.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.777 0.322 . . . . 73.14 111.167 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.8 m -153.71 156.99 38.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.159 -0.473 . . . . 70.02 110.255 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -77.87 -16.34 58.34 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.476 -0.564 . . . . 70.4 109.476 176.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -93.59 121.94 35.52 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.701 -0.681 . . . . 75.1 109.48 173.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.429 HG21 ' HD3' ' A' ' 71' ' ' LYS . 12.1 p -57.77 -36.91 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 123.463 0.477 . . . . 72.31 110.856 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.23 -26.81 56.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 73.02 111.671 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -82.0 -44.11 17.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.094 0.473 . . . . 74.31 109.739 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.56 -51.25 70.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.234 -0.894 . . . . 74.21 110.527 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.429 ' HD3' HG21 ' A' ' 67' ' ' VAL . 5.4 mtpp -54.76 -44.3 73.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.18 -0.918 . . . . 72.34 110.977 174.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -56.09 -48.78 75.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.88 -0.6 . . . . 73.12 111.585 -176.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.417 ' HB ' ' HA3' ' A' ' 62' ' ' GLY . 42.6 mt -59.11 -54.99 26.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.758 -0.656 . . . . 74.21 111.421 -176.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 3.0 ptt? -61.65 -38.51 87.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 75.54 110.665 -178.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.585 ' HA ' HG22 ' A' ' 5' ' ' ILE . 47.5 mttm -57.09 -51.31 69.78 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 120.612 0.244 . . . . 71.2 110.683 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -62.12 -20.16 63.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 62.34 111.926 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.561 ' HE ' ' HA ' ' A' ' 77' ' ' ARG . 1.3 mmp_? -65.86 -66.1 0.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.597 -0.274 . . . . 65.24 110.406 176.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.539 ' HB3' HD21 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -68.02 -28.41 67.38 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.321 -0.552 . . . . 74.01 110.746 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.417 HD23 ' HD2' ' A' ' 2' ' ' LYS . 2.8 tm? -52.45 -48.73 65.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 74.53 110.079 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -72.18 -27.67 62.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.998 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.9 mt -69.78 -36.77 76.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.711 -0.222 . . . . 71.21 111.293 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.45 HD23 ' CD1' ' A' ' 5' ' ' ILE . 1.3 pp -85.12 -27.56 26.15 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.848 -0.341 . . . . 73.23 111.268 178.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -71.09 -41.87 70.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.04 0.448 . . . . 71.41 110.799 175.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -89.09 -13.07 39.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.045 -0.525 . . . . 65.42 110.554 -177.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 65.26 47.33 2.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.41 -0.814 . . . . 72.3 110.881 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.5 m -89.01 139.32 30.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.624 -0.717 . . . . 75.34 110.747 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -70.84 -4.37 23.82 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.41 0.522 . . . . 75.04 112.41 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -62.91 -32.07 73.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.024 0.44 . . . . 75.42 111.222 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.612 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 5.2 tp -114.25 -9.03 12.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.624 0.726 . . . . 71.12 110.18 176.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.5 mt -119.77 22.44 11.57 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.818 -0.628 . . . . 72.22 112.394 -172.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -71.65 160.48 32.58 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.01 0.433 . . . . 75.43 111.639 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.7 m -84.4 139.48 32.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.624 -0.716 . . . . 71.01 110.607 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 15.3 p -140.18 -178.28 5.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.67 -0.695 . . . . 74.32 110.197 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -116.96 69.33 0.75 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.497 -0.319 . . . . 74.11 111.231 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.571 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 67.9 m -95.5 8.87 42.02 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.739 -0.601 . . . . 64.1 110.57 168.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.493 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 20.3 ptmt -161.49 -48.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.697 -0.683 . . . . 71.45 109.631 178.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.493 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 30.4 p90 -167.29 172.08 10.12 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 107.455 -1.313 . . . . 73.3 107.455 175.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.4 p -174.97 171.07 3.13 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.898 0.856 . . . . 74.12 112.181 173.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -102.84 -21.02 14.09 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 113.794 -1.548 . . . . 72.22 109.419 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.33 151.66 19.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.123 -0.944 . . . . 73.02 108.847 173.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.504 ' HD3' ' N ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.642 -0.694 . . . . 73.44 111.061 -176.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.5 mtt . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.84 0.352 . . . . 72.22 111.032 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -90.15 77.91 6.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.691 -0.855 . . . . 74.22 108.691 172.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.65 94.25 0.1 Allowed Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 114.341 -1.3 . . . . 74.22 110.058 -174.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -62.5 150.6 39.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.026 0.917 . . . . 74.35 112.98 -170.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.806 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -68.62 -27.5 36.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.259 -1.337 . . . . 64.01 109.723 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.24 -41.27 88.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.212 -0.904 . . . . 71.23 109.688 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.676 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 1.5 m80 -58.05 -53.07 62.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.034 -0.53 . . . . 74.11 110.767 172.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.524 ' HG2' ' HA ' ' A' ' 5' ' ' ILE . 52.1 mmtt -55.61 -50.46 70.07 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 123.351 0.407 . . . . 74.44 111.175 -175.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.445 HG12 ' CE2' ' A' ' 52' ' ' PHE . 7.5 p -65.13 -36.97 79.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 73.12 111.343 -175.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.505 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 12.0 m-30 -68.09 -34.39 76.31 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.666 -0.494 . . . . 71.41 109.666 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.676 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 78.3 mm-40 -58.61 -48.66 80.25 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.777 -0.647 . . . . 74.41 112.136 -174.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.474 ' O ' ' HB3' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -90.63 -33.58 15.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.155 -0.475 . . . . 73.21 112.218 -173.809 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 89' ' ' LEU . 19.0 mt -66.34 -43.05 87.18 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 120.781 -0.368 . . . . 75.51 111.822 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 60.7 pttt -64.44 -26.84 68.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.047 0.451 . . . . 74.43 110.233 177.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.474 ' HB3' ' O ' ' A' ' 12' ' ' LEU . 14.5 t70 -66.85 -45.97 76.53 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.839 -0.618 . . . . 64.42 110.79 178.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.924 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 2.8 mt-30 -73.71 -6.64 48.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.125 -0.943 . . . . 73.24 111.449 -175.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.536 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 95.77 38.07 4.79 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.519 -0.848 . . . . 52.33 111.726 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.2 t -120.23 138.26 53.75 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.032 -0.358 . . . . 63.41 110.032 175.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.56 -8.82 6.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.094 0.474 . . . . 72.12 109.925 168.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.415 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 26.3 t70 -86.16 79.58 9.06 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 121.543 0.687 . . . . 74.22 111.241 -176.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 13.3 p90 -163.37 165.45 23.99 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.809 -1.087 . . . . 74.04 109.899 176.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.03 177.62 38.86 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.909 -0.662 . . . . 44.13 111.531 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 p -112.06 138.26 48.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.997 0.427 . . . . 74.42 111.477 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.549 ' HG2' ' HB3' ' A' ' 51' ' ' SER . 14.6 pttp -97.25 141.59 30.17 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.51 -0.922 . . . . 70.04 108.51 171.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.3 p -132.96 40.71 3.21 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.662 0.744 . . . . 73.01 109.054 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.6 p -82.62 130.92 34.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.059 -0.973 . . . . 74.41 110.769 -170.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 55.8 mt -72.08 128.03 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-O 121.338 0.589 . . . . 65.44 110.511 178.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -118.39 99.57 6.92 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.418 -0.81 . . . . 73.11 110.03 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.576 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 9.7 pt-20 -76.6 119.86 21.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.655 -0.702 . . . . 64.44 109.924 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.6 t -86.23 -63.37 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.66 -0.7 . . . . 73.22 111.383 -171.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' HE2' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -144.96 164.5 30.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.146 -0.479 . . . . 72.14 110.202 -176.65 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.4 t -129.83 -168.96 2.03 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.681 -0.489 . . . . 72.1 109.681 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 p -131.54 96.48 3.99 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.668 -0.493 . . . . 64.25 109.668 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -66.76 99.32 0.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.862 -0.608 . . . . 74.33 109.623 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -168.44 -45.42 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.025 -0.534 . . . . 74.01 110.451 -174.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 t -71.83 -45.52 61.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.061 -0.518 . . . . 72.2 111.431 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.2 mt 54.1 88.51 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.618 0.599 . . . . 74.22 112.618 176.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -141.04 -164.34 1.73 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.207 -0.452 . . . . 70.22 110.331 178.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -41.81 -62.42 0.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.802 0.688 . . . . 72.23 111.063 173.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.0 p -111.82 -151.06 0.47 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.568 -0.742 . . . . 73.01 109.065 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -98.62 18.85 15.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.789 -0.448 . . . . 74.44 109.789 171.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 tp 67.46 -71.83 0.1 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.796 -0.638 . . . . 65.4 110.535 -174.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -170.3 97.58 0.26 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.58 -0.896 . . . . 73.31 108.58 176.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.43 -172.03 3.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.101 -0.5 . . . . 73.33 111.591 -175.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.416 HG23 ' NH1' ' A' ' 65' ' ' ARG . 15.0 m -82.73 97.34 8.52 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 121.631 0.729 . . . . 70.03 110.314 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.576 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -117.24 155.9 28.67 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.877 -1.056 . . . . 73.44 109.669 -178.35 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -127.51 147.26 50.32 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.284 -0.416 . . . . 73.41 110.323 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.489 ' CE2' ' HB ' ' A' ' 67' ' ' VAL . 4.5 m-30 -82.32 104.59 12.74 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.099 -0.704 . . . . 73.23 109.099 175.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.99 76.8 1.88 Allowed Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.688 -0.687 . . . . 71.13 112.487 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.535 ' HA ' ' O ' ' A' ' 24' ' ' LYS . 18.2 m-85 -80.34 136.58 36.42 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.997 -0.372 . . . . 71.53 109.997 174.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.625 ' OG ' HD13 ' A' ' 58' ' ' ILE . 23.2 t -167.7 145.39 4.49 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.846 -0.427 . . . . 74.32 109.846 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.62 ' CG ' HD23 ' A' ' 78' ' ' LEU . 41.3 t80 -100.41 121.8 42.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.768 0.318 . . . . 73.35 110.326 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -93.29 138.12 31.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.235 -0.893 . . . . 75.42 110.911 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' HB3' HG21 ' A' ' 59' ' ' VAL . 16.2 tpt180 -141.55 104.35 4.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.387 -0.824 . . . . 75.35 109.953 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.415 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 6.1 m-70 56.55 31.6 19.33 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.825 0.345 . . . . 72.52 111.4 -177.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.35 -13.16 64.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 72.14 112.656 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -89.98 173.46 8.2 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.661 -0.496 . . . . 75.12 109.661 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.625 HD13 ' OG ' ' A' ' 51' ' ' SER . 25.8 mm -115.8 114.9 47.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.763 -0.653 . . . . 74.24 110.408 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.47 HG13 HD13 ' A' ' 89' ' ' LEU . 92.5 t -94.2 -38.39 9.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.272 -0.876 . . . . 65.04 109.735 178.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.419 ' HB1' ' HG ' ' A' ' 78' ' ' LEU . . . -128.36 139.18 52.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.597 -0.728 . . . . 74.24 110.044 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.404 ' HD2' HG21 ' A' ' 58' ' ' ILE . 2.1 t80 -143.34 125.43 15.37 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.6 -0.518 . . . . 74.42 109.6 176.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.518 ' O ' ' HB3' ' A' ' 70' ' ' ALA . . . -141.38 95.54 0.19 Allowed Glycine 0 N--CA 1.44 -1.076 0 N-CA-C 111.235 -0.746 . . . . 61.54 111.235 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -99.76 124.51 45.1 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.837 0.351 . . . . 72.05 110.606 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.2 m -155.01 159.93 40.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.22 -0.445 . . . . 71.1 110.037 177.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.416 ' NH1' HG23 ' A' ' 45' ' ' THR . 35.7 ttt180 -74.46 -19.61 60.32 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.114 -0.698 . . . . 75.35 109.114 177.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -101.17 126.59 47.89 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.16 -0.927 . . . . 73.5 109.827 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.521 HG21 ' CE2' ' A' ' 50' ' ' PHE . 3.0 p -55.59 -47.75 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 O-C-N 123.42 0.45 . . . . 74.34 111.304 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.4 ' N ' HG13 ' A' ' 67' ' ' VAL . . . -63.39 -39.79 95.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.064 -0.516 . . . . 72.12 111.509 -178.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -69.39 -45.3 69.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.075 0.464 . . . . 72.51 110.271 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 62' ' ' GLY . . . -59.05 -47.07 86.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.01 0.909 . . . . 62.53 110.172 177.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.765 ' HG2' ' HZ2' ' A' ' 75' ' ' LYS . 15.9 ttpt -64.57 -37.3 87.07 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.088 -1.415 . . . . 75.51 110.439 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.518 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 5.9 t80 -57.31 -50.67 72.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.489 -0.778 . . . . 74.11 110.961 176.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.2 mt -59.29 -52.67 58.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.84 -0.618 . . . . 71.24 111.551 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.8 ptt? -60.32 -39.03 85.59 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.266 -0.425 . . . . 72.11 110.42 -178.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.806 ' HG2' ' HB ' ' A' ' 5' ' ' ILE . 35.0 mttp -55.35 -47.73 75.28 Favored 'General case' 0 CA--C 1.526 0.043 0 CA-C-O 120.629 0.252 . . . . 73.42 111.286 177.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 83.8 mm-40 -60.68 -25.43 66.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.971 -0.559 . . . . 74.11 111.38 -177.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.522 ' O ' HD21 ' A' ' 81' ' ' LEU . 23.5 mmm180 -67.43 -69.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.476 . . . . 74.24 110.874 178.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.671 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -62.57 -32.85 73.89 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.281 -0.567 . . . . 74.54 110.54 -176.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.476 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 9.5 tp -47.2 -54.58 10.38 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 123.647 0.592 . . . . 71.12 110.276 176.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -59.83 -34.3 72.9 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.326 -0.852 . . . . 74.25 111.273 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 86' ' ' SER . 0.5 OUTLIER -67.06 -42.79 84.16 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.37 -0.532 . . . . 64.33 110.91 178.797 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.493 HD23 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -80.0 -23.66 41.38 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.075 -0.25 . . . . 74.13 111.318 -178.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -74.09 -48.94 26.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.073 0.463 . . . . 73.54 110.885 174.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -86.68 -11.17 52.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.268 0.556 . . . . 73.43 110.003 -175.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm 60.96 50.94 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.903 -1.044 . . . . 74.24 110.436 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.571 ' HB2' HD11 ' A' ' 81' ' ' LEU . 10.5 m -96.23 143.36 27.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.251 -0.886 . . . . 65.24 110.526 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -71.87 -0.61 11.74 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.437 0.532 . . . . 73.11 112.437 -172.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.6 -33.08 75.08 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.857 0.36 . . . . 75.32 111.173 -178.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.671 HD23 ' HB3' ' A' ' 78' ' ' LEU . 10.0 tp -113.34 -14.61 12.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.437 0.637 . . . . 73.41 110.563 173.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.4 mt -111.07 23.56 13.97 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 112.912 0.708 . . . . 74.04 112.912 -171.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -75.2 165.1 25.73 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.186 0.517 . . . . 75.33 111.402 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.3 m -94.0 149.99 20.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.363 -0.835 . . . . 72.11 111.108 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 18.3 p -146.9 -175.17 4.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.75 -0.659 . . . . 72.3 109.651 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -124.0 68.98 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.72 0.295 . . . . 74.11 110.789 176.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 13.2 m -81.39 -13.15 58.62 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.416 0.627 . . . . 70.33 110.214 172.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.427 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 18.6 ptmt -150.46 -46.86 0.12 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.598 -0.728 . . . . 73.42 109.676 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.462 ' HD1' ' O ' ' A' ' 98' ' ' SER . 23.3 p90 -160.87 -176.52 5.56 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.244 -1.021 . . . . 74.13 108.244 176.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.462 ' O ' ' HD1' ' A' ' 97' ' ' PHE . 42.4 m -131.11 173.24 11.22 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.888 0.375 . . . . 72.35 111.011 174.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt 72.12 48.59 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.36 -0.836 . . . . 74.41 110.891 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.924 ' HE2' ' HA ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -76.25 -57.79 3.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.865 -1.062 . . . . 63.24 108.311 170.732 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.3 tptt . . . . . 0 C--O 1.247 0.949 0 CA-C-N 114.605 -1.18 . . . . 73.34 110.391 170.161 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 109.776 -0.453 . . . . 64.22 109.776 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -83.1 111.18 18.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.275 0.56 . . . . 73.52 109.741 176.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.64 130.66 6.99 Favored Glycine 0 N--CA 1.443 -0.863 0 N-CA-C 110.739 -0.945 . . . . 63.34 110.739 -171.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -73.34 143.97 46.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.487 0.66 . . . . 72.23 111.602 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.605 HG13 ' O ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -62.3 -33.2 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 114.737 -1.12 . . . . 71.22 111.594 -176.524 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.65 -32.95 73.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.711 0.291 . . . . 70.53 110.233 -175.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -64.02 -39.48 94.2 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.548 -0.538 . . . . 72.52 109.548 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.48 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 55.6 mmtt -62.59 -48.68 78.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.982 -0.554 . . . . 73.42 110.046 178.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.711 HG12 ' CZ ' ' A' ' 52' ' ' PHE . 57.4 t -54.94 -49.31 71.78 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 CA-C-N 115.803 -0.635 . . . . 75.4 111.126 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -63.12 -42.52 99.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.307 -0.406 . . . . 71.13 110.091 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -53.33 -48.09 68.77 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 113.103 0.779 . . . . 44.11 113.103 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -91.26 -38.39 12.7 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.834 -0.346 . . . . 60.12 111.885 -173.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 89' ' ' LEU . 20.5 mt -64.14 -44.59 91.69 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.185 0.439 . . . . 62.35 112.185 -177.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.612 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -62.57 -26.09 68.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.332 0.587 . . . . 75.31 109.872 178.761 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -77.43 -42.23 36.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.069 -0.969 . . . . 63.4 111.042 -177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -67.69 -19.59 65.19 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.034 -0.53 . . . . 74.42 110.738 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.573 ' HA2' ' HD3' ' A' ' 96' ' ' LYS . . . 111.12 40.7 1.24 Allowed Glycine 0 N--CA 1.438 -1.215 0 CA-C-N 115.529 -0.759 . . . . 71.15 111.892 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.612 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.2 t -126.39 135.3 51.27 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.452 -0.499 . . . . 75.31 110.591 173.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.46 4.81 9.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.285 0.564 . . . . 63.14 109.712 169.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -104.18 82.97 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.452 -0.794 . . . . 75.51 110.953 -172.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -168.53 154.44 6.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.657 -0.701 . . . . 65.41 110.164 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.37 162.52 29.93 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.799 -0.715 . . . . 64.43 112.124 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.466 HG22 ' CD2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -94.6 150.01 20.67 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.766 0.317 . . . . 74.03 111.633 -179.628 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.681 ' HZ2' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -139.37 146.97 40.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.377 -0.374 . . . . 72.52 110.154 172.132 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.8 p -134.04 83.15 2.02 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.548 0.69 . . . . 75.21 109.776 173.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.681 HG12 ' HZ2' ' A' ' 24' ' ' LYS . 13.0 p -92.34 138.88 18.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.633 -0.712 . . . . 72.23 109.228 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 64.1 mt -72.74 125.41 31.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.7 0.762 . . . . 72.24 111.039 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.409 ' CD ' ' HD3' ' A' ' 63' ' ' LYS . 45.2 mt-10 -98.15 84.71 3.32 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 114.639 -1.164 . . . . 71.24 109.106 176.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.554 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 9.5 pt-20 -80.19 117.29 20.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.791 -1.095 . . . . 74.01 109.715 -178.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.1 t -80.6 88.02 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.744 -0.662 . . . . 70.22 110.14 -175.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.493 ' HA ' HD23 ' A' ' 44' ' ' LEU . 39.0 ttpt -78.31 85.22 4.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.405 -0.816 . . . . 72.23 110.286 -177.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.0 t -155.21 147.83 24.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.564 -0.744 . . . . 72.55 109.761 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.7 m 59.2 35.78 23.65 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.749 0.655 . . . . 72.22 110.968 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -99.69 81.47 2.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.626 0.727 . . . . 73.14 111.207 -177.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -90.79 115.17 27.65 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.508 -0.923 . . . . 61.22 108.508 172.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.3 t -155.22 -167.68 2.63 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.163 -0.471 . . . . 64.24 111.394 -167.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.4 mt -119.3 3.27 11.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.395 -0.366 . . . . 74.24 111.79 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -133.84 -175.59 3.89 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.254 -0.276 . . . . 74.13 110.254 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -40.71 -63.55 0.64 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.593 0.757 . . . . 51.51 111.813 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.1 p -136.92 168.99 18.51 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.381 -0.827 . . . . 72.12 108.908 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -56.26 101.29 0.05 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.504 -0.554 . . . . 74.31 109.504 171.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.4 tp -33.14 -49.04 0.24 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 124.289 0.993 . . . . 72.25 111.794 174.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -108.7 88.76 2.8 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.923 -0.769 . . . . 74.04 108.923 170.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 31' ' ' LYS . 48.1 tp -91.13 156.44 17.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.908 -0.587 . . . . 74.35 110.278 -175.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.3 m -66.04 97.06 0.35 Allowed 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.375 0.607 . . . . 71.15 109.47 174.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -117.27 151.44 36.93 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.658 -0.701 . . . . 75.21 110.31 -174.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -129.46 152.77 48.64 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.964 -0.562 . . . . 74.12 110.298 -177.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -87.78 107.51 18.69 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.781 0.324 . . . . 65.24 110.137 177.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.75 77.14 1.66 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.735 -0.745 . . . . 73.44 112.403 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.532 ' CE1' HG21 ' A' ' 67' ' ' VAL . 7.3 m-85 -72.68 136.66 45.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.733 0.302 . . . . 74.54 110.382 176.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.524 ' HB2' ' HE3' ' A' ' 24' ' ' LYS . 2.7 m -157.13 154.7 29.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.438 -0.346 . . . . 65.54 110.685 -179.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.711 ' CZ ' HG12 ' A' ' 9' ' ' VAL . 28.5 t80 -111.69 123.1 49.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.768 -0.456 . . . . 73.33 109.768 174.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -93.53 140.7 29.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.619 -0.719 . . . . 73.44 111.987 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.492 ' HB3' HG22 ' A' ' 59' ' ' VAL . 15.1 tpt180 -144.72 105.91 4.2 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.247 -0.888 . . . . 74.21 109.669 179.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 60.85 28.68 18.43 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.792 0.33 . . . . 75.24 111.082 -177.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.4 -1.29 88.95 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.448 -0.882 . . . . 64.25 112.366 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -97.75 176.29 5.87 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.825 -0.435 . . . . 73.41 109.825 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.3 mm -114.42 115.69 50.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.031 -0.531 . . . . 73.44 110.716 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.492 HG22 ' HB3' ' A' ' 54' ' ' ARG . 68.2 t -94.33 -38.45 9.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.375 -0.829 . . . . 72.45 109.871 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.452 ' HB1' ' HG ' ' A' ' 78' ' ' LEU . . . -128.89 137.11 51.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.722 -0.672 . . . . 71.41 110.141 178.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -143.71 130.15 20.0 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.914 -0.402 . . . . 71.01 109.914 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -154.68 96.78 0.16 Allowed Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.838 -0.696 . . . . 74.41 112.134 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.409 ' HD3' ' CD ' ' A' ' 28' ' ' GLU . 3.8 ttpm? -92.95 127.38 38.44 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 120.777 0.323 . . . . 72.22 110.311 176.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.8 t -142.81 163.21 33.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.291 -0.413 . . . . 71.33 110.329 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.479 ' HD3' ' O ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -69.36 -25.42 64.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.933 -0.576 . . . . 75.45 110.004 179.192 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -120.98 149.98 41.83 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.834 0.349 . . . . 74.43 111.064 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.532 HG21 ' CE1' ' A' ' 50' ' ' PHE . 3.3 p -61.09 -42.65 94.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.836 -0.62 . . . . 71.42 111.643 -177.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.8 -52.01 67.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 62.43 111.855 -176.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -64.82 -43.57 92.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.254 -0.43 . . . . 74.1 110.507 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.41 -47.85 82.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.605 -0.725 . . . . 63.34 111.503 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.563 ' O ' ' HD3' ' A' ' 75' ' ' LYS . 54.4 mtmt -56.83 -46.67 81.52 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.116 0.484 . . . . 72.41 110.335 175.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -54.04 -48.6 70.38 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.022 -0.99 . . . . 73.14 111.179 -176.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.454 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 48.9 mt -58.37 -56.97 12.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.419 -0.81 . . . . 71.44 111.675 -177.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.434 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.6 ptt? -64.34 -38.32 90.62 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.878 -0.329 . . . . 74.04 111.074 -176.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.605 ' O ' HG13 ' A' ' 5' ' ' ILE . 5.6 mptp? -54.02 -51.15 64.93 Favored 'General case' 0 CA--C 1.526 0.057 0 CA-C-O 120.818 0.342 . . . . 74.15 110.359 177.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -62.2 -24.47 67.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.775 -0.648 . . . . 75.31 111.912 -178.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.573 ' NE ' ' HA ' ' A' ' 77' ' ' ARG . 3.4 mmp_? -64.88 -63.74 1.04 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.561 -0.29 . . . . 75.41 111.38 -178.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.739 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -65.33 -30.74 71.62 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.303 -0.559 . . . . 75.21 110.303 178.632 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.08 -47.17 68.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.693 -0.685 . . . . 73.12 109.888 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.413 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 11.2 mmmt -66.69 -33.69 76.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.105 -0.498 . . . . 75.31 111.071 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.541 ' HG ' ' HB2' ' A' ' 86' ' ' SER . 5.6 mp -67.1 -41.27 86.56 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.028 -0.533 . . . . 74.51 111.35 -177.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.424 HD22 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -81.55 -19.5 41.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.856 0.36 . . . . 72.24 111.465 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -80.47 -47.47 14.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.146 0.498 . . . . 63.31 110.911 175.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -87.29 -14.16 41.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.685 -0.688 . . . . 72.3 110.138 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 65.11 54.3 1.25 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.087 -0.96 . . . . 74.33 110.633 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.541 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 8.3 m -87.53 136.17 33.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.818 -1.083 . . . . 73.24 109.779 176.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -71.52 -2.42 16.79 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.212 0.449 . . . . 75.34 112.212 -172.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.427 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -64.29 -39.13 93.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.749 0.309 . . . . 63.31 110.732 -177.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.739 HD23 ' HB3' ' A' ' 78' ' ' LEU . 15.8 tp -105.55 -13.79 15.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.212 0.53 . . . . 64.31 111.004 175.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.6 mt -116.22 25.65 10.5 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 112.999 0.74 . . . . 74.5 112.999 -170.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -75.85 161.25 29.15 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.763 -0.375 . . . . 75.04 111.184 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.7 t -89.07 145.86 25.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.187 0.518 . . . . 63.54 110.165 178.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 16.8 p -150.62 156.82 42.12 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.83 -0.623 . . . . 74.33 109.712 -177.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -93.27 78.51 4.49 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.408 -0.517 . . . . 75.3 110.902 174.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 20.2 m -89.84 -14.7 33.81 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 119.946 -0.702 . . . . 53.31 109.182 163.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.573 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 0.1 OUTLIER -156.82 -44.48 0.07 Allowed 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.327 -0.852 . . . . 74.55 110.08 176.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.478 ' CD2' ' HG3' ' A' ' 96' ' ' LYS . 38.4 p90 -153.38 159.54 42.45 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.019 -0.363 . . . . 75.12 110.019 175.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.6 p 177.75 148.86 0.17 Allowed 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.892 0.745 . . . . 74.34 110.657 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt 72.07 -36.65 0.37 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.101 0.778 . . . . 74.44 113.101 173.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 101' ' ' LYS . 13.1 tmtt? -64.55 147.1 53.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.851 0.357 . . . . 74.12 110.15 -177.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.679 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 1.5 mptp? . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.666 -0.683 . . . . 73.43 110.84 -175.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.46 ' HE1' HE22 ' A' ' 76' ' ' GLN . 18.3 mmt . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 120.358 0.123 . . . . 63.05 110.669 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.465 ' HA ' ' HD3' ' A' ' 2' ' ' LYS . 71.0 mmtt 74.96 116.1 0.06 Allowed 'General case' 0 C--O 1.233 0.234 0 O-C-N 124.198 0.936 . . . . 74.33 112.043 174.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 107.76 -146.71 16.31 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 114.848 -1.069 . . . . 71.02 111.541 -177.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -125.28 138.14 54.08 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.157 0.503 . . . . 73.44 110.16 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.624 HG13 ' O ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -64.84 -29.86 48.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.452 -0.794 . . . . 74.0 111.807 -174.31 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' HA ' HG11 ' A' ' 9' ' ' VAL . 6.5 mt-10 -69.49 -29.98 67.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.037 -0.356 . . . . 63.42 110.037 -176.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -65.39 -45.07 85.49 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.939 -0.573 . . . . 73.13 109.501 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 60.1 mmtt -62.12 -49.03 77.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.514 -0.766 . . . . 63.2 111.181 -175.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.404 HG11 ' HA ' ' A' ' 6' ' ' GLU . 7.7 p -65.11 -40.97 90.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.869 -0.605 . . . . 71.1 111.644 -175.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -68.7 -35.83 77.68 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.402 -0.592 . . . . 74.32 109.402 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 9.0 mm-40 -51.4 -55.42 18.72 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.575 -0.739 . . . . 73.4 112.279 -175.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.439 HD11 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -85.58 -39.11 17.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.669 -0.696 . . . . 73.51 111.628 -174.451 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.452 HD13 HD12 ' A' ' 89' ' ' LEU . 25.6 mt -62.35 -45.36 93.52 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.193 0.442 . . . . 73.33 112.193 -177.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -25.99 66.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.016 0.436 . . . . 73.15 110.132 179.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -74.15 -42.75 59.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.716 -0.675 . . . . 72.52 110.046 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 7.1 mt-30 -67.08 -13.22 61.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.47 -0.786 . . . . 63.44 110.432 177.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.531 ' HA3' ' CD ' ' A' ' 96' ' ' LYS . . . 94.07 30.48 8.79 Favored Glycine 0 N--CA 1.436 -1.347 0 CA-C-N 115.621 -0.718 . . . . 43.44 112.211 178.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.404 ' C ' ' HE1' ' A' ' 21' ' ' PHE . 4.8 t -100.29 142.96 31.06 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.839 -0.43 . . . . 65.2 109.839 175.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -125.02 -14.83 6.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.649 0.738 . . . . 73.44 110.118 170.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -86.21 81.45 8.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.506 -0.77 . . . . 73.55 110.742 -175.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.49 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 28.0 p90 -169.98 152.05 4.25 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.079 -0.964 . . . . 75.14 110.196 175.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.04 157.6 19.84 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.993 -0.622 . . . . 61.03 111.654 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -88.64 143.22 27.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.786 0.327 . . . . 64.11 111.422 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.36 133.07 56.38 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.24 -0.652 . . . . 54.25 109.24 174.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.6 p -130.87 98.81 4.72 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.916 -0.584 . . . . 72.21 110.335 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.7 p -139.2 140.89 37.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.884 -0.598 . . . . 62.21 109.579 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.6 mt -79.99 129.88 36.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.166 0.507 . . . . 75.32 109.892 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -121.98 97.07 5.31 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.491 -0.777 . . . . 75.15 109.232 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.717 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 8.2 pt-20 -76.36 143.91 40.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.185 -0.916 . . . . 73.44 111.156 -175.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.2 t -115.57 84.13 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.695 -0.684 . . . . 74.13 109.597 -177.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.515 ' HB3' HD23 ' A' ' 44' ' ' LEU . 11.8 tptp -177.13 -165.88 0.13 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.726 -1.212 . . . . 72.51 107.726 -176.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.1 m -62.86 101.75 0.29 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.991 -0.374 . . . . 73.4 109.991 174.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.8 m -69.83 -29.73 67.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.262 0.553 . . . . 54.32 109.892 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -83.29 45.52 1.04 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.524 -0.762 . . . . 74.05 109.7 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -60.68 150.58 31.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.569 -0.742 . . . . 74.31 111.422 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.6 t -74.93 -6.01 46.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.72 -0.673 . . . . 73.02 112.066 -173.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.9 mt 58.55 93.3 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.209 0.528 . . . . 70.13 110.4 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.588 HD23 ' CA ' ' A' ' 41' ' ' GLU . 2.7 pt? -144.4 -150.56 0.33 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.936 -0.575 . . . . 75.5 110.234 -171.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.569 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 27.6 t-20 -83.03 -67.61 0.77 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.811 -0.631 . . . . 72.43 111.505 177.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.402 ' C ' ' H ' ' A' ' 42' ' ' LEU . 16.9 p -75.41 -64.02 1.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.48 0.548 . . . . 60.03 112.48 -172.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.588 ' CA ' HD23 ' A' ' 38' ' ' LEU . 2.5 mp0 -72.87 15.74 0.19 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.754 0.65 . . . . 75.44 112.754 -177.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 38' ' ' LEU . 3.2 tm? -63.89 -45.67 88.34 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.699 -0.852 . . . . 73.33 108.699 173.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -114.15 85.27 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.191 -0.913 . . . . 75.21 110.211 177.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -88.38 -169.87 2.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.254 -0.885 . . . . 75.25 110.839 -179.695 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.9 m -58.72 107.16 0.48 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.158 0.504 . . . . 72.14 111.045 -178.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.717 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -124.67 153.57 42.11 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.911 -0.586 . . . . 73.32 110.103 -178.545 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -130.08 150.9 51.14 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.698 -0.482 . . . . 75.1 109.698 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -88.84 113.29 24.23 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.248 -0.433 . . . . 73.24 109.947 177.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.05 81.33 1.6 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.905 -0.664 . . . . 73.41 111.974 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.573 ' HB3' ' SD ' ' A' ' 74' ' ' MET . 12.1 m-85 -83.39 134.32 34.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.933 0.397 . . . . 75.1 110.229 174.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.445 ' HB3' HD13 ' A' ' 58' ' ' ILE . 16.0 m -154.77 153.86 31.89 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.298 -0.41 . . . . 71.55 110.459 177.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.578 ' CG ' HD23 ' A' ' 78' ' ' LEU . 33.2 t80 -110.19 121.88 46.32 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.549 -0.538 . . . . 71.43 109.549 174.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -92.07 141.01 29.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.645 -0.707 . . . . 71.01 111.194 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.484 ' HB3' HG22 ' A' ' 59' ' ' VAL . 13.8 tpt180 -145.31 104.08 3.9 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.262 -0.881 . . . . 73.21 109.647 -178.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 61.67 24.37 14.49 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.734 0.302 . . . . 70.24 111.557 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.86 -2.68 80.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 70.02 111.869 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -100.1 177.16 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.657 -0.498 . . . . 63.2 109.657 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.445 HD13 ' HB3' ' A' ' 51' ' ' SER . 13.9 mm -117.02 113.23 42.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.057 -0.52 . . . . 75.34 110.196 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.498 HG12 HD13 ' A' ' 89' ' ' LEU . 77.5 t -90.65 -36.95 8.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.582 -0.735 . . . . 74.4 109.849 176.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -127.33 136.24 51.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.739 -0.664 . . . . 63.43 110.676 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -138.51 128.43 25.3 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.045 -0.525 . . . . 72.41 109.813 174.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.421 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -147.64 92.34 0.15 Allowed Glycine 0 N--CA 1.442 -0.953 0 CA-C-N 115.834 -0.621 . . . . 64.21 111.63 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -100.01 117.53 34.49 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.825 -0.435 . . . . 71.32 109.825 177.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.1 t -144.8 164.3 31.47 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.924 0.393 . . . . 70.04 110.769 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -69.69 -30.61 68.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.7 -0.682 . . . . 75.1 110.498 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -101.39 133.5 45.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.749 -0.659 . . . . 61.31 109.965 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.36 -45.16 93.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.921 -0.581 . . . . 75.23 111.366 -175.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.625 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . . . -69.16 -34.29 74.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.212 -0.449 . . . . 75.31 111.726 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -71.49 -44.56 64.48 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.791 -0.448 . . . . 71.32 109.791 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.515 ' HA ' HD11 ' A' ' 73' ' ' ILE . . . -54.47 -47.76 72.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.05 0.928 . . . . 63.31 110.232 174.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.625 ' HE2' ' HA ' ' A' ' 68' ' ' ALA . 30.2 ttpt -61.84 -42.72 99.38 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 113.609 -1.632 . . . . 73.53 110.226 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -55.84 -48.09 76.09 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.804 -0.635 . . . . 64.42 110.858 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.529 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 45.0 mt -57.32 -54.18 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.609 -0.723 . . . . 72.14 111.37 -177.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.573 ' SD ' ' HB3' ' A' ' 50' ' ' PHE . 2.7 ptt? -63.58 -39.03 93.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.428 -0.351 . . . . 73.32 110.538 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.624 ' O ' HG13 ' A' ' 5' ' ' ILE . 56.2 mttm -57.91 -47.65 82.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 121.021 -0.272 . . . . 74.45 110.918 178.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.46 HE22 ' HE1' ' A' ' 1' ' ' MET . 83.6 mm-40 -60.32 -26.29 66.44 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.778 0.288 . . . . 75.35 111.778 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 4.0 mmp_? -62.56 -60.8 3.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.402 -0.363 . . . . 74.41 110.844 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.779 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -69.99 -33.58 72.23 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.034 -0.666 . . . . 74.12 110.166 178.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -51.74 -51.03 59.27 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.851 -0.613 . . . . 73.11 109.881 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.441 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 14.6 mmmt -65.69 -33.84 76.82 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.928 -0.578 . . . . 74.13 111.443 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.52 HD22 ' HB2' ' A' ' 89' ' ' LEU . 4.2 mp -64.41 -43.63 93.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.511 -0.313 . . . . 75.13 111.388 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.521 ' HA ' HD13 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -77.62 -31.5 52.87 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.922 -0.311 . . . . 74.25 111.531 -179.332 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -73.4 -44.16 59.01 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.083 0.468 . . . . 73.14 111.037 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -83.57 -18.33 38.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.785 -0.643 . . . . 74.5 110.311 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm 67.67 46.3 1.34 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.123 -0.944 . . . . 75.13 110.662 -177.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.445 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 5.2 m -78.71 134.69 37.07 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 114.501 -1.227 . . . . 71.51 109.933 174.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -69.2 -3.19 12.64 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.499 0.555 . . . . 72.41 112.499 -174.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -64.18 -39.56 94.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.579 0.228 . . . . 74.5 111.156 -176.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.779 HD23 ' HB3' ' A' ' 78' ' ' LEU . 21.4 tp -105.42 -12.98 15.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.603 0.716 . . . . 75.45 111.08 176.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.521 HD13 ' HA ' ' A' ' 82' ' ' LEU . 14.6 mt -114.78 21.6 14.25 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.807 -0.633 . . . . 75.22 112.68 -170.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -71.96 159.01 34.96 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.862 0.363 . . . . 74.14 110.755 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.7 p -84.82 136.75 33.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.855 -0.611 . . . . 75.22 110.332 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.6 p -136.39 174.26 10.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.113 -0.494 . . . . 75.41 109.959 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -113.39 66.33 0.66 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.802 0.334 . . . . 75.41 111.241 -177.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 42.3 m -89.2 -1.2 57.98 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.357 -0.537 . . . . 71.31 110.642 170.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.531 ' CD ' ' HA3' ' A' ' 17' ' ' GLY . 21.4 ptmt -158.07 -45.66 0.06 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.308 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.442 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 28.2 p90 -164.38 163.54 22.37 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.279 -0.637 . . . . 73.21 109.279 176.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.5 p -179.05 174.08 1.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.882 0.739 . . . . 75.24 110.405 173.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.7 mmtt -94.94 -30.98 13.87 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.098 -0.704 . . . . 74.53 109.098 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.556 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 2.0 tpmt? -97.46 125.39 42.1 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.474 -0.785 . . . . 73.43 109.949 176.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.286 -0.864 . . . . 74.13 109.281 179.106 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.5 ttp . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.734 0.302 . . . . 74.45 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -93.14 -177.87 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.121 0.486 . . . . 74.11 111.136 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 133.24 173.06 13.15 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 111.417 -0.673 . . . . 62.14 111.417 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.41 ' CG ' ' HZ2' ' A' ' 75' ' ' LYS . 9.3 t70 -80.07 139.69 36.8 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.688 -0.486 . . . . 75.25 109.688 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.769 HG22 ' HG2' ' A' ' 75' ' ' LYS . 4.7 tp -70.5 -25.8 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.614 -0.266 . . . . 65.23 111.154 -175.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.15 -32.33 73.86 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.483 -0.562 . . . . 73.21 109.483 -178.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.662 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 22.3 t60 -66.53 -52.36 46.58 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.159 -0.682 . . . . 73.1 109.159 174.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -59.57 -51.02 71.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.396 -0.82 . . . . 74.25 111.464 -174.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.455 HG13 ' CD1' ' A' ' 10' ' ' TYR . 11.1 p -62.36 -38.2 80.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.912 -0.585 . . . . 73.12 111.241 -175.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.582 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 14.4 m-30 -69.49 -34.12 73.86 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.518 -0.549 . . . . 72.01 109.518 177.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.662 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 17.4 mm-40 -56.69 -51.16 69.85 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.124 -0.489 . . . . 74.31 112.175 -174.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.552 HD11 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -87.35 -40.16 14.68 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.335 -0.393 . . . . 74.54 111.853 -176.002 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.552 ' H ' HD11 ' A' ' 12' ' ' LEU . 18.9 mt -61.11 -45.16 95.85 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.103 0.408 . . . . 74.24 112.103 -177.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 63.0 pttt -64.36 -30.63 71.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.032 0.444 . . . . 73.33 109.813 177.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -69.91 -41.47 74.64 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.908 -0.587 . . . . 71.22 110.74 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 9.2 mt-30 -66.65 -6.28 14.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.564 -0.744 . . . . 73.51 110.789 177.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.459 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 88.95 33.36 9.79 Favored Glycine 0 N--CA 1.439 -1.139 0 C-N-CA 120.87 -0.681 . . . . 55.45 111.404 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.4 t -107.5 133.12 52.44 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.585 -0.446 . . . . 72.15 111.15 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -133.82 68.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.185 -0.672 . . . . 64.21 109.185 165.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.606 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 15.5 t70 -159.27 76.65 0.7 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.484 -0.78 . . . . 74.23 109.326 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.513 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 22.2 p90 -171.34 147.54 2.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.401 -0.818 . . . . 72.44 110.671 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.71 167.85 39.9 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 116.097 -0.501 . . . . 65.05 111.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.5 p -98.13 135.29 40.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.934 0.367 . . . . 75.12 111.105 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.38 129.7 55.24 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.254 -0.647 . . . . 73.42 109.254 176.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.6 p -128.13 108.36 10.58 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.008 -0.542 . . . . 71.43 110.538 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.26 143.66 29.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.656 -0.702 . . . . 74.42 109.556 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.6 mt -82.51 132.34 31.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 121.043 0.449 . . . . 73.11 111.108 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -113.46 101.54 9.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.545 -0.752 . . . . 52.41 109.062 176.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -73.6 133.84 43.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.658 -0.701 . . . . 73.5 110.366 -179.08 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.0 t -96.4 86.84 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.097 0.475 . . . . 75.22 110.286 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.67 ' HA ' HD23 ' A' ' 44' ' ' LEU . 8.6 pttm -80.85 77.56 7.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.6 0.714 . . . . 74.45 110.322 176.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.8 t -99.61 7.11 45.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.947 -1.024 . . . . 37.77 109.754 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.1 t -108.88 -168.67 1.37 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.673 -0.694 . . . . 73.33 109.873 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -74.12 160.01 31.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.361 -0.382 . . . . 74.12 110.562 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -64.62 153.21 40.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.895 -0.593 . . . . 72.12 111.987 -171.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 p -91.04 129.38 37.05 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.598 -0.728 . . . . 65.34 110.814 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.2 tp -131.55 51.99 2.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.559 0.695 . . . . 64.34 109.379 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.413 ' H ' HD21 ' A' ' 38' ' ' LEU . 2.2 pt? -122.8 -163.26 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.13 -0.941 . . . . 73.02 109.3 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -44.97 -70.22 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.694 0.621 . . . . 74.54 111.427 176.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.1 -151.58 0.48 Allowed 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.13 -1.063 . . . . 75.23 108.13 175.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 41' ' ' GLU . 1.0 OUTLIER -92.32 116.19 28.74 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.516 -0.92 . . . . 70.04 108.516 166.001 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 pp -51.91 166.09 0.17 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.278 -0.874 . . . . 75.11 111.964 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 -67.4 98.57 0.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.554 0.693 . . . . 64.43 110.271 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.67 HD23 ' HA ' ' A' ' 31' ' ' LYS . 47.7 tp -96.97 167.83 10.84 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.952 -1.022 . . . . 74.44 110.842 -173.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.478 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 23.6 m -62.26 109.98 1.49 Allowed 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.411 -0.588 . . . . 70.42 109.411 172.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -122.19 153.61 38.57 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.154 -0.475 . . . . 75.13 110.602 -174.322 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -125.71 146.41 49.76 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.824 -0.625 . . . . 75.11 109.804 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.506 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 15.5 m-85 -87.83 116.84 26.26 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 120.904 0.383 . . . . 74.53 110.3 176.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.53 84.64 1.32 Allowed Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.763 -0.653 . . . . 62.33 111.796 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.438 ' HD2' ' SD ' ' A' ' 74' ' ' MET . 3.1 m-85 -84.13 137.54 33.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.823 0.344 . . . . 63.34 110.628 177.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.493 ' HB3' HD11 ' A' ' 58' ' ' ILE . 11.6 m -154.44 150.36 27.78 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.188 -0.46 . . . . 53.12 110.386 176.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.549 ' CG ' HD23 ' A' ' 78' ' ' LEU . 65.7 t80 -106.62 122.74 46.94 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.7 -0.481 . . . . 72.5 109.7 174.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -95.9 134.57 38.74 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.963 0.79 . . . . 74.4 110.75 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.513 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.7 OUTLIER -143.42 104.22 4.21 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.791 -0.818 . . . . 73.25 108.791 177.06 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.606 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 5.2 m-70 64.32 24.2 13.22 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.831 -0.622 . . . . 73.44 111.983 -175.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.71 -7.73 77.04 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.652 -0.785 . . . . 74.51 112.5 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -92.06 168.57 11.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.504 -0.554 . . . . 65.54 109.504 177.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.493 HD11 ' HB3' ' A' ' 51' ' ' SER . 20.3 mm -108.25 106.18 20.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.683 -0.69 . . . . 70.34 110.079 178.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.52 HG13 HD13 ' A' ' 89' ' ' LEU . 88.8 t -85.56 -37.17 11.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 CA-C-N 114.994 -1.003 . . . . 72.42 109.966 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -129.4 137.78 51.11 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 115.699 -0.682 . . . . 72.1 110.949 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -138.07 130.1 28.63 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.51 -0.552 . . . . 75.23 109.51 173.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.441 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -152.61 95.6 0.16 Allowed Glycine 0 N--CA 1.44 -1.074 0 C-N-CA 120.821 -0.704 . . . . 63.34 111.768 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.506 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 31.0 ttpt -98.72 133.67 42.72 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 110.275 -0.269 . . . . 73.1 110.275 176.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.1 m -149.28 165.82 30.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.91 0.386 . . . . 73.05 111.283 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -62.64 -31.86 72.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.549 -0.751 . . . . 74.43 110.159 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -118.95 145.65 45.61 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.762 -0.654 . . . . 75.1 110.871 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.46 -39.32 82.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.432 -0.804 . . . . 62.15 112.22 -173.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.96 -29.44 58.28 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.932 0.345 . . . . 73.13 111.932 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -73.57 -40.12 64.15 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.967 -0.753 . . . . 64.42 108.967 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 62' ' ' GLY . . . -59.39 -43.04 92.99 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.812 -1.085 . . . . 74.13 110.416 176.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.531 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 87.6 mttt -55.48 -49.44 72.52 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 115.545 -0.752 . . . . 75.31 110.567 173.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.441 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 47.2 t80 -52.95 -50.19 64.54 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.127 -0.942 . . . . 70.12 111.107 -174.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 35.3 mt -62.2 -48.82 86.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.824 -0.626 . . . . 73.31 110.913 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.477 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 54.3 ttp -53.4 -51.22 63.26 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.634 -0.712 . . . . 74.32 110.665 175.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.769 ' HG2' HG22 ' A' ' 5' ' ' ILE . 65.3 mttm -63.53 -40.93 98.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.485 -0.78 . . . . 70.13 111.668 -176.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 28.6 mm-40 -62.64 -28.86 70.2 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.503 0.192 . . . . 72.42 111.382 178.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 74' ' ' MET . 13.3 mmm180 -57.75 -65.23 0.67 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.502 -0.317 . . . . 75.22 110.74 176.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.758 ' HB3' HD21 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -66.12 -33.03 74.85 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.128 -0.629 . . . . 73.11 110.51 -178.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -51.69 -49.28 62.72 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.987 -0.552 . . . . 74.45 110.776 -178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -69.69 -32.06 70.45 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.81 -0.356 . . . . 74.31 110.954 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.543 ' HG ' ' HB2' ' A' ' 86' ' ' SER . 4.9 mp -64.38 -41.52 96.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.42 -0.354 . . . . 73.43 111.665 -178.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.478 HD23 HD13 ' A' ' 5' ' ' ILE . 1.3 pp -79.8 -22.75 42.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.685 0.279 . . . . 75.22 111.699 -178.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -82.16 -38.82 24.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.205 0.526 . . . . 65.33 110.537 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -89.15 -15.6 33.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.465 -0.789 . . . . 72.41 110.256 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp 67.26 43.25 2.08 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.295 -0.866 . . . . 75.54 110.757 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.543 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 7.8 m -78.16 131.59 37.26 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 114.852 -1.067 . . . . 75.51 110.247 178.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -63.78 -9.52 15.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.162 -0.472 . . . . 63.14 111.967 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.433 HD23 ' HB3' ' A' ' 86' ' ' SER . 2.7 mm? -58.81 -43.81 90.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.677 -0.238 . . . . 73.41 111.263 -177.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.758 HD21 ' HB3' ' A' ' 78' ' ' LEU . 27.9 tp -100.88 -24.61 14.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.413 0.625 . . . . 73.33 110.952 175.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 82' ' ' LEU . 8.5 mt -107.99 25.48 11.53 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 113.03 0.752 . . . . 74.52 113.03 -167.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -73.0 160.5 32.0 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 120.148 -0.621 . . . . 75.43 110.739 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.4 t -84.23 141.07 31.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.509 -0.769 . . . . 73.1 110.132 -178.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.1 p -139.64 169.57 17.49 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.729 -0.669 . . . . 73.13 109.577 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -108.79 68.02 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.578 0.228 . . . . 72.11 111.155 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 16.7 m -84.66 -26.7 27.61 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.079 -0.648 . . . . 74.2 110.373 170.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.45 ' CD ' ' HA3' ' A' ' 17' ' ' GLY . 20.9 ptmt -126.34 -40.61 1.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 74.24 109.969 176.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.426 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 24.7 p90 -172.52 178.76 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.886 -0.783 . . . . 73.5 108.886 176.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.4 m -157.7 159.53 36.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 123.455 0.472 . . . . 75.21 110.239 168.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.475 ' HZ2' ' HB3' ' A' ' 99' ' ' LYS . 1.3 mmmp? 57.63 53.31 7.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.395 -0.82 . . . . 72.41 112.343 166.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -47.32 86.97 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 107.884 -1.154 . . . . 75.21 107.884 167.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.491 ' HD2' ' HA ' ' A' ' 101' ' ' LYS . 14.9 tptp . . . . . 0 C--O 1.254 1.339 0 CA-C-N 114.493 -1.231 . . . . 74.42 110.084 169.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptm . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.352 0.12 . . . . 73.54 111.045 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.508 ' HD2' ' HB2' ' A' ' 4' ' ' ASP . 18.8 ptpt -119.3 -9.4 9.93 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.701 -0.399 . . . . 74.53 111.411 -176.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.07 41.29 71.17 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.549 -0.834 . . . . 52.41 111.403 -176.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.508 ' HB2' ' HD2' ' A' ' 2' ' ' LYS . 25.2 t70 -70.62 143.11 51.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.303 0.573 . . . . 72.42 111.734 -175.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.553 HG23 ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -75.75 -30.43 21.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 114.967 -1.015 . . . . 75.34 111.229 -173.564 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.54 ' OE1' HG22 ' A' ' 5' ' ' ILE . 1.2 mp0 -68.03 -37.61 81.57 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.106 -0.702 . . . . 65.33 109.106 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.634 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 2.6 t60 -56.34 -43.2 78.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.947 -1.024 . . . . 75.34 109.273 174.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 66.8 mmtt -63.21 -51.08 67.72 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.817 -0.628 . . . . 73.23 110.843 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.719 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 57.4 t -53.97 -41.82 51.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.833 -0.621 . . . . 72.24 110.501 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.651 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 3.6 m-30 -65.73 -50.31 65.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.907 -0.588 . . . . 74.25 110.123 178.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 27.5 mm-40 -49.06 -45.0 42.28 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.282 0.845 . . . . 73.2 113.282 -173.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.487 HD13 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -94.85 -41.62 9.12 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.189 0.44 . . . . 63.53 112.189 -174.617 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.576 HD22 ' NH2' ' A' ' 54' ' ' ARG . 22.7 mt -65.5 -42.4 92.17 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.093 0.405 . . . . 72.54 112.093 -175.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.651 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 58.0 pttt -64.85 -25.41 67.89 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.893 -0.323 . . . . 73.14 110.558 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -73.22 -45.45 56.04 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.034 0.445 . . . . 71.23 110.444 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -62.86 -25.31 68.22 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.413 -0.812 . . . . 74.2 110.204 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.619 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 115.1 39.0 0.98 Allowed Glycine 0 N--CA 1.434 -1.48 0 CA-C-N 115.272 -0.876 . . . . 54.05 111.802 -178.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.7 t -125.6 135.45 52.21 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.265 -0.574 . . . . 52.34 111.171 175.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.53 -7.55 9.66 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.49 0.662 . . . . 75.15 109.54 170.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.457 ' OD1' ' HA ' ' A' ' 55' ' ' HIS . 14.1 t70 -91.32 81.91 5.46 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 115.325 -0.852 . . . . 74.35 111.329 -172.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.685 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 11.4 p90 -166.51 155.54 10.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.016 -0.993 . . . . 75.12 110.366 176.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.54 178.29 48.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.079 -0.581 . . . . 71.33 111.649 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.8 p -106.66 149.09 27.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.852 0.358 . . . . 74.1 111.088 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.4 pttt -129.97 143.12 50.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.116 0.484 . . . . 74.54 110.221 173.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.0 t -119.05 92.06 3.71 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.927 -0.768 . . . . 73.34 108.927 174.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.7 p -99.82 108.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.652 0.739 . . . . 71.13 110.142 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.0 mt -66.73 127.76 28.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.686 -0.688 . . . . 74.23 110.682 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -114.97 100.9 8.54 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.241 -0.89 . . . . 75.02 109.88 175.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.7 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 1.2 pm0 -75.47 107.91 7.92 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.245 -0.65 . . . . 73.51 109.245 176.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.2 t -65.92 107.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.845 -0.616 . . . . 71.5 110.407 -175.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.478 ' HA ' HD22 ' A' ' 44' ' ' LEU . 22.8 ttpp -74.25 81.16 1.83 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.206 -0.906 . . . . 64.44 110.712 -177.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.3 t -87.03 129.16 35.01 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.342 -0.845 . . . . 63.3 109.474 176.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 34' ' ' HIS . 36.8 m -79.29 172.57 13.61 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.203 -0.453 . . . . 73.04 110.49 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 33' ' ' SER . 77.0 m-70 71.91 30.05 2.32 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.545 0.688 . . . . 65.24 109.851 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 46.6 pttt -91.78 174.47 7.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.207 -0.906 . . . . 73.02 110.423 178.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.6 t -75.27 145.55 41.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.23 0.538 . . . . 74.41 111.632 -176.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.5 mt -115.7 123.12 47.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.726 -0.67 . . . . 75.45 109.922 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.797 ' HG ' ' H ' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -140.29 -69.26 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.092 0.472 . . . . 73.53 110.6 -176.239 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.797 ' H ' ' HG ' ' A' ' 38' ' ' LEU . 25.6 t-20 -145.3 -75.84 0.22 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.629 -1.249 . . . . 64.53 107.629 177.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 p -102.98 158.13 16.5 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 107.27 -1.382 . . . . 72.3 107.27 160.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -66.0 99.02 0.46 Allowed 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.156 -0.683 . . . . 65.24 109.156 174.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -24.5 -73.0 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 O-C-N 125.049 1.468 . . . . 73.12 112.594 -174.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -147.84 105.97 3.74 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.756 -0.461 . . . . 75.44 109.756 176.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.511 HD23 ' HB2' ' A' ' 29' ' ' GLU . 40.4 tp -77.23 142.44 39.54 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.938 -0.574 . . . . 74.11 109.841 178.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.6 m -64.5 105.43 0.95 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.302 0.572 . . . . 72.33 110.29 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.7 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -106.17 152.15 23.83 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.811 -0.631 . . . . 74.23 110.649 -176.177 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -124.93 147.1 49.03 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.781 -0.645 . . . . 74.31 110.113 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 4.1 m-30 -84.54 108.67 17.43 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.243 -0.435 . . . . 64.43 110.441 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.05 77.42 1.98 Allowed Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.358 -0.697 . . . . 44.34 111.358 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.44 ' CE2' HG22 ' A' ' 67' ' ' VAL . 6.2 m-85 -72.11 131.98 43.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.764 0.316 . . . . 74.41 110.307 177.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.499 ' HB3' HD13 ' A' ' 58' ' ' ILE . 3.7 m -144.22 147.2 33.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.578 -0.283 . . . . 65.1 110.304 177.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.719 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 26.7 t80 -104.51 123.27 47.2 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.597 -0.519 . . . . 75.03 109.597 175.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -96.94 139.34 33.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.351 -0.84 . . . . 73.43 111.308 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.685 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -147.58 106.22 3.81 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.633 -0.877 . . . . 75.2 108.633 177.63 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.457 ' HA ' ' OD1' ' A' ' 20' ' ' ASP . 9.9 m-70 63.31 25.46 14.69 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.36 0.413 . . . . 65.52 112.053 -175.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.12 2.31 89.41 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.335 -0.936 . . . . 44.22 112.202 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -99.11 171.37 8.06 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.162 -0.681 . . . . 71.25 109.162 175.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.499 HD13 ' HB3' ' A' ' 51' ' ' SER . 22.2 mm -108.74 115.31 49.06 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.803 -0.635 . . . . 74.11 110.34 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.519 HG12 ' HB2' ' A' ' 89' ' ' LEU . 74.8 t -96.19 -37.35 7.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.13 -0.941 . . . . 74.44 109.979 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -130.75 146.94 52.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.954 -0.567 . . . . 63.03 110.788 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -148.03 134.88 20.09 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.099 -0.704 . . . . 74.11 109.099 177.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -157.49 103.99 0.24 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.158 -0.544 . . . . 42.45 111.759 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.438 ' HB2' ' HE3' ' A' ' 63' ' ' LYS . 35.8 ttmt -103.68 122.46 45.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.895 0.379 . . . . 70.11 110.67 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.7 m -146.79 159.74 43.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.11 -0.495 . . . . 52.44 110.48 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -74.68 -18.17 60.56 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.507 0.67 . . . . 74.44 109.901 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -110.45 127.62 55.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.554 -0.748 . . . . 75.44 109.85 176.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.493 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 2.7 p -53.03 -41.73 42.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 O-C-N 123.563 0.539 . . . . 74.11 111.335 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.24 -49.2 78.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 71.32 111.713 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -67.99 -39.56 83.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.771 0.32 . . . . 73.55 110.403 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.85 -47.33 86.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.535 . . . . 61.32 110.914 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' A' ' 67' ' ' VAL . 54.4 mtmt -61.76 -40.52 95.44 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 115.841 -0.618 . . . . 73.33 110.056 176.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.496 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 6.1 t80 -56.06 -49.63 73.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.274 -0.875 . . . . 75.11 110.998 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.2 mt -60.1 -54.65 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.71 -0.677 . . . . 75.01 111.532 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 3.1 ptt? -61.03 -39.37 89.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.434 -0.348 . . . . 75.25 110.776 -177.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.553 ' HA ' HG23 ' A' ' 5' ' ' ILE . 62.6 mttm -60.35 -45.27 94.08 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 121.18 -0.208 . . . . 61.41 111.186 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 14.4 mm100 -61.72 -25.89 67.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.726 0.298 . . . . 71.12 111.178 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.497 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 3.2 mmp_? -62.36 -61.99 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.327 -0.397 . . . . 73.1 110.685 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.773 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -66.35 -33.83 76.61 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.585 -0.446 . . . . 74.31 110.377 178.792 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -51.48 -50.76 59.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.745 -0.661 . . . . 73.31 110.181 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.421 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 11.5 mmmt -67.03 -27.62 67.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.393 -0.367 . . . . 72.22 111.232 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 87.7 mt -72.96 -39.31 66.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.67 -0.241 . . . . 65.3 111.12 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.523 ' HA ' HD13 ' A' ' 90' ' ' LEU . 1.7 pp -82.97 -24.11 33.09 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.879 -0.329 . . . . 74.4 111.541 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -74.66 -47.01 34.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.155 0.503 . . . . 72.13 110.35 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -82.48 -15.36 52.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.866 -0.607 . . . . 71.52 110.228 -176.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? 63.07 60.74 1.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.077 -0.965 . . . . 73.12 109.779 -176.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.8 m -103.03 143.39 32.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.876 -1.057 . . . . 72.22 110.535 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -68.64 -12.63 61.6 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.723 0.638 . . . . 73.13 112.723 -171.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.457 ' H ' HD23 ' A' ' 88' ' ' LEU . 2.7 mm? -55.45 -37.61 67.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.711 0.291 . . . . 73.44 111.618 -174.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.773 HD23 ' HB3' ' A' ' 78' ' ' LEU . 24.6 tp -108.04 -27.48 10.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.429 0.633 . . . . 74.11 110.679 177.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' A' ' 82' ' ' LEU . 8.5 mt -104.75 18.97 21.3 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.502 -0.772 . . . . 74.21 112.7 -166.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -68.81 157.77 35.79 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 120.303 -0.559 . . . . 74.34 110.863 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 t -85.94 144.73 27.48 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.43 -0.804 . . . . 53.13 109.715 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 98' ' ' SER . 18.4 p -145.51 179.46 7.4 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.66 -0.7 . . . . 71.14 109.591 -176.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.484 ' OD1' ' HA ' ' A' ' 97' ' ' PHE . 2.3 t30 -113.57 73.1 0.8 Allowed 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.145 0.278 . . . . 64.01 110.546 178.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.619 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 58.3 m -94.46 2.49 55.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.52 0.676 . . . . 52.32 109.807 167.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.548 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 21.2 ptmt -155.56 -42.43 0.08 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.994 -1.003 . . . . 74.45 108.572 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.548 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 26.1 p90 -176.18 174.1 2.08 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 107.85 -1.167 . . . . 73.44 107.85 174.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.417 ' HB3' ' O ' ' A' ' 93' ' ' CYS . 59.8 p -165.47 178.95 6.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.342 0.591 . . . . 75.33 111.3 172.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -104.01 144.29 31.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.005 -0.998 . . . . 74.41 109.854 -174.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -113.98 -169.55 1.54 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.419 0.628 . . . . 72.5 111.53 -174.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.66 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.783 0 CA-C-N 115.095 -0.957 . . . . 71.54 108.662 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.988 0.423 . . . . 74.3 110.234 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.438 ' HZ3' ' CD ' ' A' ' 83' ' ' GLU . 83.1 mttt -130.05 4.56 4.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.339 -0.391 . . . . 74.52 110.639 177.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.19 -170.71 14.3 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.047 -0.821 . . . . 38.23 111.047 -175.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.656 ' HB2' ' HD2' ' A' ' 7' ' ' HIS . 7.0 m-20 -78.74 132.69 37.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.553 0.692 . . . . 64.11 111.252 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.547 HG23 ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -64.03 -26.9 41.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.806 -1.088 . . . . 73.24 110.453 -177.2 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -63.4 -38.44 91.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.396 -0.82 . . . . 62.43 110.271 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.717 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 85.5 m-70 -65.25 -42.35 93.38 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.675 -0.491 . . . . 61.12 109.675 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -61.14 -49.48 77.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.767 -0.651 . . . . 73.32 111.259 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.48 HG13 ' CE2' ' A' ' 52' ' ' PHE . 10.9 p -64.71 -34.19 68.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.029 -0.532 . . . . 74.22 111.117 -177.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.47 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 19.8 m-30 -67.6 -37.74 82.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.483 -0.562 . . . . 72.42 109.483 176.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.717 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 26.1 mm-40 -56.46 -52.51 64.42 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.491 -0.777 . . . . 74.03 112.075 -172.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.46 HD13 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -86.87 -39.28 15.97 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.022 -0.536 . . . . 75.44 111.853 -173.629 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.46 ' H ' HD13 ' A' ' 12' ' ' LEU . 17.3 mt -63.38 -42.22 98.83 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.281 0.474 . . . . 71.31 112.281 -177.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 61.8 pttt -62.92 -32.19 73.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.966 0.412 . . . . 73.1 110.028 176.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.53 -37.91 74.15 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.765 -0.652 . . . . 71.42 110.645 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.536 ' HA ' ' HE2' ' A' ' 99' ' ' LYS . 4.4 mt-30 -68.98 -9.14 50.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.49 -0.777 . . . . 73.2 111.111 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.572 ' HA2' ' HD3' ' A' ' 96' ' ' LYS . . . 93.68 38.53 5.22 Favored Glycine 0 N--CA 1.437 -1.268 0 C-N-CA 120.627 -0.796 . . . . 74.12 111.445 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 2.9 t -120.16 142.86 48.57 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.709 -0.396 . . . . 72.51 111.278 175.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.54 3.42 7.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.52 0.676 . . . . 73.32 109.198 168.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -102.98 84.41 2.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.082 -0.963 . . . . 74.14 110.584 -171.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.599 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 18.2 p90 -173.11 149.5 1.83 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.727 -0.669 . . . . 71.33 110.855 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.83 -168.22 35.84 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.605 -0.598 . . . . 73.23 111.605 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.3 p -123.02 147.38 46.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 117.117 0.458 . . . . 74.42 110.922 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.514 ' HG2' ' HB2' ' A' ' 51' ' ' SER . 39.8 pttt -108.43 139.07 43.68 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.978 -0.749 . . . . 72.44 108.978 171.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.7 p -132.55 79.04 1.83 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.48 0.657 . . . . 64.43 109.689 176.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -118.54 137.58 52.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.315 -0.857 . . . . 74.11 110.207 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.3 mt -81.53 127.21 39.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 121.281 0.562 . . . . 73.45 109.839 175.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -120.02 104.8 10.44 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.469 -0.787 . . . . 71.34 109.524 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.634 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -78.1 133.04 37.93 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.364 -0.835 . . . . 70.33 109.528 -179.736 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.5 t -90.23 -97.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.395 -0.366 . . . . 62.41 111.31 -172.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -146.85 143.87 28.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.97 0.414 . . . . 73.21 111.098 -174.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.656 ' HB2' ' HG ' ' A' ' 44' ' ' LEU . 54.6 m -158.45 -163.0 1.19 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.442 -0.948 . . . . 73.52 108.442 175.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.1 m -74.54 110.77 9.1 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.759 -0.46 . . . . 72.5 109.759 172.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -86.64 -0.22 55.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.057 0.456 . . . . 72.35 110.886 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -81.42 12.42 3.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.15 -0.477 . . . . 73.04 111.378 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -96.3 122.84 39.6 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.297 0.57 . . . . 74.31 110.311 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -110.52 96.34 6.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.922 -0.581 . . . . 74.41 109.574 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.795 HD13 ' HB2' ' A' ' 42' ' ' LEU . 1.2 pt? -121.66 -32.83 3.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.004 -0.544 . . . . 73.54 111.568 -175.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 175.0 -82.61 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.447 -0.945 . . . . 70.33 108.447 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.0 p -104.95 -152.52 0.47 Allowed 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 106.827 -1.546 . . . . 73.45 106.827 165.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 41' ' ' GLU . 1.0 OUTLIER -85.31 61.08 6.64 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.894 0.854 . . . . 62.12 109.557 172.309 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.795 ' HB2' HD13 ' A' ' 38' ' ' LEU . 96.2 mt -75.95 150.6 37.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.772 -0.649 . . . . 73.11 110.854 -177.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 30.1 m80 62.38 20.36 11.78 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.776 -0.647 . . . . 75.24 111.996 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.656 ' HG ' ' HB2' ' A' ' 32' ' ' SER . 9.2 tt -90.52 142.87 27.3 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.514 -0.921 . . . . 73.13 108.514 175.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.3 m -58.38 107.12 0.45 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.113 0.482 . . . . 73.01 111.023 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.634 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -116.02 154.67 29.46 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.831 -0.622 . . . . 71.02 110.576 -176.359 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -128.12 150.57 49.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.987 -0.551 . . . . 74.22 109.965 177.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -87.83 117.09 26.44 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.296 -0.631 . . . . 72.52 109.296 173.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.01 84.72 1.36 Allowed Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 115.782 -0.645 . . . . 44.25 111.882 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.514 ' HB3' ' SD ' ' A' ' 74' ' ' MET . 14.3 m-85 -88.55 127.55 35.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.975 0.416 . . . . 62.34 110.068 176.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.514 ' HB2' ' HG2' ' A' ' 24' ' ' LYS . 7.3 m -152.37 144.92 24.15 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.607 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.587 ' CG ' HD22 ' A' ' 78' ' ' LEU . 42.4 t80 -99.83 122.78 43.3 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 116.275 -0.421 . . . . 64.42 109.885 175.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -96.96 136.6 37.3 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.012 -0.995 . . . . 73.51 110.933 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.599 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.7 OUTLIER -144.99 104.94 4.03 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.331 -0.989 . . . . 64.14 108.331 176.756 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 8.5 m-70 68.26 24.32 7.5 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.414 0.446 . . . . 63.45 111.358 -173.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.43 -5.35 81.32 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.466 -0.873 . . . . 74.24 112.059 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -89.84 174.07 7.9 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.441 -0.577 . . . . 74.12 109.441 175.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.501 HD12 ' HB3' ' A' ' 51' ' ' SER . 25.8 mm -113.26 111.58 36.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.877 -0.601 . . . . 75.14 110.538 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.515 HG12 ' HB2' ' A' ' 89' ' ' LEU . 93.1 t -91.84 -38.63 10.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-N 115.158 -0.928 . . . . 72.32 109.852 176.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -126.78 130.86 51.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.642 -0.708 . . . . 74.31 110.373 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.599 ' HE1' ' HE2' ' A' ' 63' ' ' LYS . 2.8 t80 -134.22 131.51 38.62 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.828 -0.434 . . . . 71.33 109.828 174.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.81 102.2 0.3 Allowed Glycine 0 N--CA 1.44 -1.046 0 N-CA-C 111.147 -0.781 . . . . 72.22 111.147 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.599 ' HE2' ' HE1' ' A' ' 61' ' ' TYR . 6.9 tppt? -101.84 118.47 37.0 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.81 -0.441 . . . . 73.42 109.81 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.495 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 69.8 m -153.16 151.73 30.46 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.367 -0.378 . . . . 62.31 110.915 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -65.82 -28.63 69.13 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.101 -0.703 . . . . 73.41 109.101 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.667 ' HD2' ' HB2' ' A' ' 69' ' ' ASN . 40.1 ttmt -91.97 125.06 36.52 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.065 -0.971 . . . . 75.23 110.28 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -57.07 -45.16 84.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.162 -0.472 . . . . 75.35 110.988 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.17 -36.74 77.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.064 -0.516 . . . . 61.33 112.012 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.667 ' HB2' ' HD2' ' A' ' 66' ' ' LYS . 7.3 t30 -69.71 -45.54 67.99 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.104 0.478 . . . . 63.04 109.927 -178.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -57.0 -47.38 80.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.181 -0.918 . . . . 38.23 110.605 177.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.41 ' HG2' ' HE2' ' A' ' 75' ' ' LYS . 24.5 ttpt -62.41 -40.2 95.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 113.907 -1.497 . . . . 75.52 110.247 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -58.11 -49.19 77.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.612 -0.722 . . . . 75.44 110.78 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.48 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 57.0 mt -58.03 -53.97 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.522 -0.763 . . . . 74.33 111.517 -177.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.514 ' SD ' ' HB3' ' A' ' 50' ' ' PHE . 2.5 ptt? -61.36 -39.27 89.99 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.875 -0.33 . . . . 73.44 110.698 -178.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.547 ' HA ' HG23 ' A' ' 5' ' ' ILE . 47.7 mttm -57.05 -47.63 80.47 Favored 'General case' 0 N--CA 1.458 -0.058 0 CA-C-O 120.526 0.203 . . . . 75.45 110.773 177.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -67.47 -15.48 63.69 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.451 -0.34 . . . . 75.11 111.803 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 36.0 mmt180 -67.61 -63.72 1.0 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.848 -0.427 . . . . 72.34 109.848 176.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.782 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -69.22 -31.53 70.17 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.529 -0.469 . . . . 74.11 110.331 -179.368 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -51.76 -50.48 60.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.135 0.493 . . . . 74.35 110.021 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.401 ' HB3' ' HE2' ' A' ' 80' ' ' LYS . 0.8 OUTLIER -68.45 -29.82 68.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.978 -0.555 . . . . 75.25 111.215 179.609 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.534 ' HG ' ' HB2' ' A' ' 86' ' ' SER . 5.3 mp -69.42 -33.28 72.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.331 -0.395 . . . . 43.22 111.928 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.474 HD23 HD13 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -87.31 -20.89 26.16 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.764 -0.374 . . . . 72.42 111.216 178.209 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.438 ' CD ' ' HZ3' ' A' ' 2' ' ' LYS . 27.0 mm-40 -74.76 -47.88 28.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.252 0.549 . . . . 63.14 110.16 174.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -88.5 -14.76 37.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.395 -0.821 . . . . 64.44 110.546 -177.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 66.77 37.3 4.23 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.51 -0.768 . . . . 71.41 110.887 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.534 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 3.0 m -67.49 135.93 53.82 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.214 -0.903 . . . . 72.32 110.222 178.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -69.25 -5.71 24.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.652 -0.249 . . . . 63.31 111.61 -176.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.407 ' H ' HD22 ' A' ' 88' ' ' LEU . 2.7 mm? -59.92 -44.11 94.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.555 -0.293 . . . . 75.05 111.244 -177.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.782 HD23 ' HB3' ' A' ' 78' ' ' LEU . 19.4 tp -94.74 -28.54 15.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.506 0.669 . . . . 71.23 110.656 175.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.4 mt -104.57 22.76 14.43 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.274 -0.876 . . . . 72.12 113.136 -165.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -68.78 157.81 35.64 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 120.332 -0.547 . . . . 74.34 110.844 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.7 m -89.3 134.37 34.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.735 -0.666 . . . . 73.23 111.12 -176.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.8 p -128.3 -178.84 4.71 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.434 -0.803 . . . . 62.13 109.365 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -125.94 72.54 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.021 0.439 . . . . 73.54 110.681 176.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 17.3 m -80.55 -50.86 9.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.038 0.447 . . . . 63.11 110.242 173.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.572 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 18.5 ptmt -118.55 -36.71 3.44 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.861 -0.609 . . . . 75.04 109.781 177.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.464 ' CD2' ' HG3' ' A' ' 96' ' ' LYS . 21.6 p90 -159.66 -173.38 4.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.318 -0.855 . . . . 72.24 108.78 176.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.1 m -140.18 -163.98 1.62 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.0 0.428 . . . . 63.52 111.054 169.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' A' ' 16' ' ' GLN . 28.9 mmtp -101.97 145.26 29.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.038 -0.528 . . . . 64.45 112.358 -168.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.503 ' HG2' ' HG2' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -127.48 -13.56 5.42 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.16 -1.052 . . . . 73.24 108.16 162.684 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.503 ' HG2' ' HG2' ' A' ' 100' ' ' LYS . 73.7 mmtt . . . . . 0 C--O 1.247 0.933 0 CA-C-N 114.626 -1.17 . . . . 71.25 109.281 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 ptp . . . . . 0 N--CA 1.478 0.95 0 CA-C-O 120.756 0.313 . . . . 73.3 110.197 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -121.91 142.6 50.1 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.826 -0.435 . . . . 74.41 109.826 177.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 165.08 -156.74 28.89 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 110.849 -0.9 . . . . 72.0 110.849 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -126.56 136.81 53.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.407 0.622 . . . . 73.4 111.295 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -66.21 -28.98 45.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.001 -1.0 . . . . 75.23 112.144 -175.359 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.485 ' HA ' HG11 ' A' ' 9' ' ' VAL . 38.6 mt-10 -72.72 -28.19 62.51 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 120.292 -0.563 . . . . 73.24 109.82 -174.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.725 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 32.8 m170 -64.49 -47.17 79.93 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.078 -0.712 . . . . 73.4 109.078 170.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -57.41 -50.52 72.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.597 -0.729 . . . . 71.22 111.432 -177.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.518 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 14.7 p -63.26 -32.73 57.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.004 -0.544 . . . . 74.4 111.421 -176.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.478 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 17.2 m-30 -70.49 -37.58 74.22 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 108.923 -0.769 . . . . 75.22 108.923 175.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.725 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 26.4 mm-40 -57.82 -45.93 85.44 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.619 -0.719 . . . . 64.01 111.81 -172.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.511 HD11 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -92.6 -44.48 8.58 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.314 -0.403 . . . . 75.32 111.979 -174.312 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.511 ' H ' HD11 ' A' ' 12' ' ' LEU . 21.0 mt -60.9 -43.96 97.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.22 0.452 . . . . 75.54 112.22 -175.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.611 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 59.9 pttt -63.65 -27.58 69.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.1 0.476 . . . . 63.11 110.325 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -75.94 -33.1 59.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.854 -0.612 . . . . 74.02 110.478 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 5.1 mt-30 -79.38 -0.29 32.17 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.455 -0.793 . . . . 73.14 111.183 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.535 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 90.52 36.68 6.83 Favored Glycine 0 N--CA 1.439 -1.131 0 C-N-CA 120.387 -0.911 . . . . 73.35 111.608 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.611 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 2.8 t -123.67 128.81 50.19 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 120.488 -0.485 . . . . 53.41 110.192 174.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.485 ' OE1' ' HB3' ' A' ' 95' ' ' CYS . 1.9 pm0 -121.95 3.88 9.94 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.324 0.583 . . . . 73.42 109.993 173.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.626 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 29.1 t0 -103.96 85.63 2.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.384 -0.825 . . . . 74.53 110.683 -174.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -167.41 167.35 13.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.151 -0.932 . . . . 74.51 110.441 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.5 176.0 39.06 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.155 -0.545 . . . . 74.23 112.067 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 p -114.15 139.93 48.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.967 0.383 . . . . 63.14 111.305 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.407 ' CD ' ' HE1' ' A' ' 53' ' ' PHE . 47.5 pttt -117.42 156.36 28.07 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.898 -0.408 . . . . 71.14 109.898 173.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.4 p -140.42 72.16 1.39 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.508 0.67 . . . . 55.33 109.927 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 p -94.22 135.63 28.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.816 -0.629 . . . . 73.45 109.633 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.9 mt -75.84 127.4 37.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.229 0.537 . . . . 74.33 111.759 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -111.95 100.77 9.16 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.241 -0.89 . . . . 72.24 109.596 172.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.524 ' HA ' ' HB2' ' A' ' 46' ' ' LYS . 11.3 pt-20 -65.41 132.16 48.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.527 -0.76 . . . . 44.25 109.495 176.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -87.4 85.7 2.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.573 0.702 . . . . 74.43 110.224 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -81.99 101.64 10.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.163 -0.926 . . . . 75.45 109.592 175.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.9 t -123.19 -24.93 4.58 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.281 -0.872 . . . . 75.25 110.08 -176.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.0 t -139.24 -175.85 4.31 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.908 -0.587 . . . . 74.31 109.505 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -70.09 107.7 3.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.853 0.359 . . . . 75.14 110.368 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.718 ' HD3' HD23 ' A' ' 44' ' ' LEU . 53.2 pttt -94.7 174.23 7.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.117 -0.492 . . . . 74.14 110.218 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.474 HG22 ' HB3' ' A' ' 42' ' ' LEU . 8.7 t -70.04 137.32 51.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.093 0.473 . . . . 72.12 110.767 175.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.2 tp -108.3 112.22 24.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.904 -0.589 . . . . 72.33 110.217 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.615 HD12 ' HB2' ' A' ' 42' ' ' LEU . 1.9 pt? -155.22 -172.02 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.389 -0.369 . . . . 72.32 110.935 178.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -40.37 -65.5 0.4 Allowed 'General case' 0 N--CA 1.468 0.438 0 O-C-N 124.169 0.918 . . . . 73.54 112.184 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.414 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -118.57 -158.4 0.72 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.366 -0.834 . . . . 72.44 108.939 178.322 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.45 ' CD ' ' HZ2' ' A' ' 35' ' ' LYS . 62.2 mm-40 -95.31 99.28 11.24 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.965 -0.694 . . . . 62.1 110.484 176.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.615 ' HB2' HD12 ' A' ' 38' ' ' LEU . 68.7 tp -47.83 -60.89 2.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.723 -1.126 . . . . 74.3 110.475 177.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -171.33 100.13 0.2 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.666 -0.697 . . . . 74.12 110.145 176.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.718 HD23 ' HD3' ' A' ' 35' ' ' LYS . 58.6 tp -119.21 150.58 39.83 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.52 -0.919 . . . . 70.34 108.52 170.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.1 m -60.22 102.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.347 -0.612 . . . . 64.12 109.347 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.524 ' HB2' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -122.21 151.27 41.2 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.908 -0.587 . . . . 73.15 110.431 -174.173 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.477 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 4.4 m-85 -121.61 148.1 44.99 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.119 -0.491 . . . . 72.45 110.57 -174.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.478 ' HE2' ' HB ' ' A' ' 67' ' ' VAL . 14.6 m-30 -83.97 113.38 20.95 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.952 -0.758 . . . . 74.54 108.952 173.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.85 76.83 1.97 Allowed Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.793 -0.718 . . . . 53.53 111.68 177.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.485 ' CE2' HG22 ' A' ' 67' ' ' VAL . 5.8 m-85 -76.73 111.66 12.48 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.841 -0.429 . . . . 75.33 109.841 177.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.493 ' HB3' HD12 ' A' ' 58' ' ' ILE . 0.9 OUTLIER -131.34 141.31 49.89 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.267 -0.424 . . . . 73.11 110.978 -175.85 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.581 ' CG ' HD22 ' A' ' 78' ' ' LEU . 39.4 t80 -101.1 121.63 42.14 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 109.718 -0.475 . . . . 72.42 109.718 173.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 21.5 m-85 -99.55 135.54 40.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.236 -0.893 . . . . 75.3 112.026 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -134.24 117.52 16.56 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.353 -0.98 . . . . 75.51 108.353 165.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.626 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 16.1 m-70 64.1 22.26 12.84 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.844 0.354 . . . . 74.14 111.911 -177.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.64 2.25 88.85 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.441 -0.885 . . . . 37.08 112.128 -177.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.463 ' O ' ' HA ' ' A' ' 53' ' ' PHE . 26.7 m-80 -95.79 169.49 9.97 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 109.809 -0.441 . . . . 75.12 109.809 176.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.493 HD12 ' HB3' ' A' ' 51' ' ' SER . 25.9 mm -107.51 110.65 32.62 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-N 115.653 -0.703 . . . . 75.11 110.526 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.526 HG13 ' HB2' ' A' ' 89' ' ' LEU . 87.8 t -90.99 -35.17 6.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 CA-C-N 115.13 -0.941 . . . . 75.33 109.556 176.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -138.83 140.21 38.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.696 -0.684 . . . . 74.32 110.971 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.401 ' HE1' ' HB2' ' A' ' 63' ' ' LYS . 2.3 t80 -143.51 125.58 15.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.869 0.366 . . . . 73.32 110.053 173.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.22 104.55 0.67 Allowed Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.688 -0.687 . . . . 72.31 111.558 176.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.477 ' HG3' ' HB3' ' A' ' 47' ' ' TYR . 3.0 tppp? -96.16 118.4 32.66 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.651 0.262 . . . . 74.13 110.669 -178.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.516 ' HB2' ' HB1' ' A' ' 70' ' ' ALA . 56.5 m -156.59 152.47 27.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.548 -0.296 . . . . 72.32 110.771 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 37.7 ttp180 -71.41 -28.64 64.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.731 -0.841 . . . . 71.34 108.731 176.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.54 ' HD2' ' HB2' ' A' ' 69' ' ' ASN . 22.7 ttmm -89.34 123.73 33.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.783 -1.099 . . . . 73.22 109.86 178.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.488 HG23 ' HE2' ' A' ' 71' ' ' LYS . 6.1 p -56.6 -44.35 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 123.38 0.425 . . . . 73.33 110.928 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.18 -37.61 88.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 74.32 111.55 -178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.54 ' HB2' ' HD2' ' A' ' 66' ' ' LYS . 5.6 t30 -73.58 -43.68 59.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.755 -0.461 . . . . 74.43 109.755 -178.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.516 ' HB1' ' HB2' ' A' ' 64' ' ' SER . . . -61.29 -49.43 77.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.523 -0.762 . . . . 72.51 111.096 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.488 ' HE2' HG23 ' A' ' 67' ' ' VAL . 54.3 mtmt -55.77 -44.91 78.12 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 115.93 -0.577 . . . . 72.11 110.275 176.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.408 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 33.3 t80 -56.01 -49.89 72.4 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.139 -0.937 . . . . 72.23 111.202 -175.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.4 mt -57.82 -55.25 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.663 -0.699 . . . . 74.01 111.751 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.485 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.7 ptt? -62.66 -38.98 92.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.531 -0.304 . . . . 74.33 110.69 -178.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.587 ' O ' HG13 ' A' ' 5' ' ' ILE . 62.6 mttm -62.67 -42.58 99.7 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.67 -0.241 . . . . 74.11 111.193 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 30.4 mm-40 -62.12 -25.88 67.98 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.606 0.241 . . . . 72.54 111.243 177.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.543 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 16.0 mmm180 -62.22 -66.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 73.41 110.701 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.826 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -66.02 -30.51 71.06 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.225 -0.59 . . . . 72.13 110.836 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -53.4 -46.12 69.58 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.259 0.552 . . . . 72.21 109.825 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.82 -26.49 59.75 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.809 -0.632 . . . . 62.44 111.128 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 92.3 mt -73.22 -34.24 65.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.574 -0.285 . . . . 75.11 111.295 -178.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.463 HD21 HD11 ' A' ' 5' ' ' ILE . 1.4 pp -83.5 -21.18 32.87 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.805 -0.358 . . . . 73.01 111.013 177.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -83.44 -37.28 23.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 71.32 110.995 176.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -91.08 -11.35 38.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.177 0.513 . . . . 74.1 110.125 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 64.19 35.61 10.06 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.216 -0.902 . . . . 75.53 111.255 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.6 m -72.29 135.99 46.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.527 -0.761 . . . . 70.53 110.493 178.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -69.57 -1.71 9.51 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.205 0.446 . . . . 74.44 112.205 -175.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.24 -38.79 92.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.598 0.237 . . . . 72.31 111.201 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.826 HD23 ' HB3' ' A' ' 78' ' ' LEU . 18.9 tp -103.98 -15.78 15.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.263 0.554 . . . . 73.33 110.492 177.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.8 mt -115.78 21.02 14.21 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.759 -0.655 . . . . 73.41 112.764 -168.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -67.37 163.97 19.6 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.26 0.552 . . . . 53.25 112.098 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.6 m -81.23 140.36 34.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.411 -0.813 . . . . 43.02 111.325 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.1 p -149.52 165.91 30.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.924 -0.58 . . . . 74.41 109.457 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -115.17 83.54 1.93 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.172 0.511 . . . . 74.13 110.263 174.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 10.2 m -86.53 -10.34 54.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.088 -0.505 . . . . 62.11 110.252 169.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.502 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 17.6 ptmt -171.29 -37.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.304 -0.862 . . . . 72.43 109.286 -174.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.422 ' CD2' ' HG3' ' A' ' 96' ' ' LYS . 31.7 p90 -165.24 -172.99 2.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.044 -0.98 . . . . 73.44 108.368 175.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.6 m -148.26 178.18 8.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.908 0.385 . . . . 74.42 110.539 169.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.447 ' H ' ' HG2' ' A' ' 99' ' ' LYS . 52.2 mmtt -56.74 -67.96 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.977 -1.011 . . . . 74.3 110.912 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.423 ' HD2' ' H ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER 175.04 -28.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.127 -1.397 . . . . 75.5 107.349 -176.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.423 ' H ' ' HD2' ' A' ' 100' ' ' LYS . 2.2 mptm? . . . . . 0 C--O 1.251 1.162 0 CA-C-N 114.466 -1.243 . . . . 75.23 109.932 175.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 mmt . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 109.764 -0.458 . . . . 71.4 109.764 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.68 127.97 33.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.178 0.513 . . . . 72.14 109.688 175.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.75 -86.51 0.74 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.336 -0.935 . . . . 74.21 112.515 -175.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -120.89 135.68 55.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.816 0.817 . . . . 63.04 110.761 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.485 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -69.85 -24.56 26.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 114.907 -1.042 . . . . 74.41 110.727 -174.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -68.27 -42.27 79.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.066 -0.515 . . . . 75.33 110.093 -177.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.623 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 17.1 t-80 -57.78 -40.92 80.97 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.452 -0.574 . . . . 73.14 109.452 175.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 67.4 mmtt -59.68 -52.34 65.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 73.42 110.741 178.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.771 HG12 ' CZ ' ' A' ' 52' ' ' PHE . 46.6 t -55.7 -43.85 74.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.145 -0.48 . . . . 72.4 110.561 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.417 ' CD1' ' HE1' ' A' ' 21' ' ' PHE . 13.4 m-30 -63.11 -48.47 78.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.062 -0.517 . . . . 73.14 109.634 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 20.4 mm-40 -50.66 -47.35 58.73 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 113.032 0.753 . . . . 64.13 113.032 -173.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.499 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -89.29 -45.72 9.3 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.713 -0.395 . . . . 73.54 111.711 -175.764 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.499 ' H ' HD12 ' A' ' 12' ' ' LEU . 20.1 mt -61.78 -44.67 96.41 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.274 0.472 . . . . 71.41 112.274 -175.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -63.31 -28.71 70.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.142 0.496 . . . . 75.44 110.096 178.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -75.84 -33.87 60.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.816 -0.629 . . . . 62.33 110.361 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 6.8 mt-30 -75.98 -3.1 33.74 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.479 -0.782 . . . . 73.44 109.934 176.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.705 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 87.13 45.83 5.23 Favored Glycine 0 N--CA 1.43 -1.731 0 C-N-CA 120.598 -0.81 . . . . 60.01 111.338 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 4.6 t -123.71 135.4 53.84 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 119.832 -0.747 . . . . 72.51 111.241 172.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.463 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -123.76 -4.04 8.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.352 0.596 . . . . 74.33 109.689 170.101 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -93.71 82.3 4.32 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.393 -0.821 . . . . 63.13 110.899 -175.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.417 ' HE1' ' CD1' ' A' ' 10' ' ' TYR . 20.4 p90 -169.48 162.13 10.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.989 -1.005 . . . . 73.34 110.32 176.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.64 167.63 33.6 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.99 -0.624 . . . . 55.42 112.135 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.1 p -95.26 150.17 20.53 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.592 0.234 . . . . 70.13 111.358 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.26 144.36 49.68 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.628 -0.508 . . . . 72.01 109.628 171.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.4 p -133.13 95.33 3.52 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.215 0.531 . . . . 74.13 110.012 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.3 p -111.72 142.32 24.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.812 -0.631 . . . . 75.13 109.579 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 64.6 mt -80.16 126.01 39.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 120.134 -0.626 . . . . 71.35 110.608 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -111.49 88.82 2.89 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 108.494 -0.928 . . . . 70.43 108.494 174.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 1.2 pm0 -70.83 149.79 46.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.894 -1.048 . . . . 72.54 111.592 -173.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.2 t -111.6 110.62 32.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.544 -0.753 . . . . 74.05 109.895 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -57.85 146.53 31.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.254 -0.885 . . . . 62.23 111.742 -177.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.2 p -80.0 156.91 26.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.906 -0.588 . . . . 73.14 110.392 177.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 m -66.94 -35.25 79.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.028 0.442 . . . . 73.54 110.811 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -102.27 165.87 10.89 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.776 -0.453 . . . . 72.53 109.776 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.644 ' H ' ' HD3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -87.45 167.21 14.2 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.993 -0.373 . . . . 75.11 109.993 177.223 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.797 HG23 ' HA ' ' A' ' 41' ' ' GLU . 3.2 p -95.27 152.23 18.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.899 0.381 . . . . 74.11 111.462 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -107.17 3.26 25.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 74.44 110.901 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.57 HD22 ' HB ' ' A' ' 36' ' ' THR . 1.6 pt? -104.9 -170.72 1.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.043 -0.354 . . . . 71.42 110.043 -179.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.565 ' OD1' HG22 ' A' ' 40' ' ' THR . 25.9 t-20 -54.28 -70.41 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 74.01 112.018 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.565 HG22 ' OD1' ' A' ' 39' ' ' ASN . 14.1 p -95.35 -110.35 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.169 0.509 . . . . 75.42 111.113 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.797 ' HA ' HG23 ' A' ' 36' ' ' THR . 0.0 OUTLIER -137.03 12.12 3.09 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.782 -0.645 . . . . 74.1 110.553 178.826 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 33.1 tp 65.24 15.71 10.15 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.495 -0.775 . . . . 74.21 111.058 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.434 ' HA ' ' OE2' ' A' ' 41' ' ' GLU . 75.2 t60 63.23 85.4 0.13 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.705 -0.679 . . . . 72.42 109.754 -173.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 pp -79.67 -174.13 4.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.216 -0.902 . . . . 74.01 111.631 -175.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.4 m -62.1 106.33 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.439 0.638 . . . . 75.41 110.778 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -115.85 157.53 24.31 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.282 -0.872 . . . . 73.33 109.761 -178.404 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -125.04 132.02 53.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.013 0.435 . . . . 74.23 110.293 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.61 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 3.4 m-30 -78.27 103.3 8.12 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.693 -0.685 . . . . 73.43 109.8 175.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.71 76.64 1.98 Allowed Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.887 -0.597 . . . . 55.43 111.962 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.527 ' HB3' ' SD ' ' A' ' 74' ' ' MET . 6.4 m-85 -73.75 119.03 17.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.942 0.401 . . . . 65.41 110.004 177.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.505 ' HB3' HD13 ' A' ' 58' ' ' ILE . 1.3 m -135.29 143.99 46.54 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.99 -0.55 . . . . 75.51 110.505 -176.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.771 ' CZ ' HG12 ' A' ' 9' ' ' VAL . 22.6 t80 -106.41 123.64 48.37 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.799 -0.445 . . . . 73.12 109.799 173.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 7.3 m-85 -99.92 134.69 42.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.469 -0.787 . . . . 62.21 111.624 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.406 ' HG3' ' HB3' ' A' ' 21' ' ' PHE . 60.1 ttt180 -134.95 119.19 17.71 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.777 -0.823 . . . . 75.42 108.777 167.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 59.53 19.42 7.9 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.589 0.588 . . . . 74.12 112.589 -179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.12 -4.3 62.57 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.458 -0.877 . . . . 73.35 112.884 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 53' ' ' PHE . 29.6 m-80 -98.11 171.66 8.1 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.048 0.452 . . . . 75.01 110.149 178.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.505 HD13 ' HB3' ' A' ' 51' ' ' SER . 23.8 mm -104.87 109.73 28.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.324 -0.853 . . . . 64.54 110.012 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.504 HG13 ' HB2' ' A' ' 89' ' ' LEU . 88.7 t -88.14 -36.12 8.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 115.058 -0.973 . . . . 73.45 109.622 177.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.448 ' HB1' ' HG ' ' A' ' 78' ' ' LEU . . . -136.75 138.22 40.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.566 -0.743 . . . . 71.23 110.695 178.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -141.88 133.52 26.94 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.9 0.381 . . . . 73.35 110.087 173.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.452 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -156.77 104.63 0.26 Allowed Glycine 0 N--CA 1.438 -1.19 0 N-CA-C 111.119 -0.793 . . . . 54.02 111.119 175.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.61 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 20.0 pttm -101.15 151.91 21.27 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.363 -0.535 . . . . 73.5 109.564 176.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.8 t -165.73 162.42 18.65 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.697 -0.683 . . . . 54.33 109.67 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -68.11 -23.18 64.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.862 0.363 . . . . 74.35 110.348 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -108.44 139.26 43.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.97 -0.559 . . . . 73.2 110.843 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.446 HG21 ' HE2' ' A' ' 71' ' ' LYS . 3.0 p -60.5 -43.53 94.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.814 -0.63 . . . . 72.44 111.123 177.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.478 ' HA ' ' CE ' ' A' ' 71' ' ' LYS . . . -62.57 -43.6 98.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.602 -0.272 . . . . 72.44 111.729 -177.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -68.85 -46.2 69.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.312 -0.404 . . . . 72.21 110.376 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.1 -46.76 82.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.888 -0.596 . . . . 73.0 111.062 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.478 ' CE ' ' HA ' ' A' ' 68' ' ' ALA . 55.5 mtmt -55.42 -47.33 76.12 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.288 0.566 . . . . 73.11 110.223 174.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -55.22 -48.52 73.78 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.831 -1.077 . . . . 73.14 111.106 -174.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.487 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 37.6 mt -58.75 -54.71 29.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.758 -0.655 . . . . 74.34 111.626 -177.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.527 ' SD ' ' HB3' ' A' ' 50' ' ' PHE . 2.5 ptt? -64.44 -39.15 93.27 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.905 -0.318 . . . . 75.54 110.66 -176.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.491 ' N ' ' HG3' ' A' ' 74' ' ' MET . 60.2 mttm -61.18 -45.22 95.5 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.199 -0.2 . . . . 73.44 110.982 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -64.14 -20.27 65.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.57 -0.286 . . . . 73.15 111.271 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 37.6 mmt180 -66.56 -66.72 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.669 -0.241 . . . . 75.54 110.388 177.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.661 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -61.29 -33.67 73.94 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.546 -0.461 . . . . 73.23 110.221 178.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -52.64 -49.93 64.18 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.194 -0.457 . . . . 73.04 109.95 177.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -67.83 -28.56 67.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.356 -0.384 . . . . 72.32 110.937 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 93.1 mt -71.87 -38.08 70.09 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.634 -0.257 . . . . 64.11 111.048 -178.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.448 HD23 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -80.64 -24.29 39.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.701 0.286 . . . . 74.1 110.839 176.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.96 -41.34 59.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.277 0.56 . . . . 54.34 111.036 175.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -88.79 -22.35 23.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.624 -0.716 . . . . 60.24 109.969 -175.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 66.64 56.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.364 -0.835 . . . . 72.34 109.902 -174.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.2 m -98.99 145.0 27.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.903 -1.044 . . . . 75.1 110.5 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -66.55 -11.43 52.95 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.718 0.636 . . . . 74.43 112.718 -173.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.483 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.8 mm? -56.57 -38.62 72.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.654 0.242 . . . . 74.31 111.654 -175.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.661 HD23 ' HB3' ' A' ' 78' ' ' LEU . 18.6 tp -109.74 -24.88 10.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.103 0.478 . . . . 74.05 111.069 177.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 mt -108.36 19.74 19.47 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 112.872 0.693 . . . . 72.31 112.872 -168.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -67.68 159.9 29.12 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.05 0.452 . . . . 75.21 111.183 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.7 m -77.98 134.22 37.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.58 -0.736 . . . . 62.33 110.358 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 98' ' ' SER . 8.2 p -137.58 171.23 14.76 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.204 -0.453 . . . . 64.51 109.936 178.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -111.76 75.05 0.9 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.883 -0.327 . . . . 73.41 111.264 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.705 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 74.3 m -94.68 -9.24 35.47 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 120.068 -0.653 . . . . 75.31 109.817 165.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.467 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 20.7 ptmt -147.75 -54.03 0.21 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.689 -0.687 . . . . 72.44 110.069 173.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.467 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 26.9 p90 -151.56 170.81 18.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.008 -0.738 . . . . 75.23 109.008 176.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.422 ' HB3' ' O ' ' A' ' 93' ' ' CYS . 28.2 p 179.07 -174.12 0.19 Allowed 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.295 0.569 . . . . 74.43 111.15 177.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -98.22 117.89 33.61 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.091 -0.959 . . . . 74.23 109.465 -177.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.91 120.58 35.36 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.865 -0.607 . . . . 72.43 111.244 -171.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 3.9 mptp? . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.446 -0.788 . . . . 72.24 109.93 174.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HB3' ' H ' ' A' ' 2' ' ' LYS . 22.1 mmt . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 110.139 -0.319 . . . . 73.34 110.139 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.45 ' HD2' ' N ' ' A' ' 2' ' ' LYS . 3.5 mptp? -73.41 99.29 2.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.967 0.413 . . . . 74.32 110.497 -176.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -118.3 138.15 13.58 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.877 -0.678 . . . . 64.01 112.361 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.421 ' CG ' ' HD1' ' A' ' 7' ' ' HIS . 2.5 p30 -92.5 155.13 18.03 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.64 0.733 . . . . 75.43 111.431 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.434 HG23 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -70.54 -26.2 28.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.805 -1.089 . . . . 75.23 110.72 -175.173 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -67.82 -42.38 81.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.123 -0.49 . . . . 72.04 109.759 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.681 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 2.5 m80 -53.92 -48.29 70.32 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.82 -0.627 . . . . 74.14 110.298 173.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -53.67 -53.59 49.78 Favored 'General case' 0 N--CA 1.463 0.21 0 O-C-N 123.687 0.617 . . . . 74.55 111.289 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.743 HG12 ' CZ ' ' A' ' 52' ' ' PHE . 50.4 t -54.44 -43.05 61.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 75.53 110.914 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -70.48 -38.35 74.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.192 -0.458 . . . . 73.34 109.894 -177.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.681 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 20.0 mm-40 -55.08 -48.34 73.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.018 -0.537 . . . . 71.43 111.783 -174.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.558 HD11 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -92.56 -46.2 7.74 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.274 0.472 . . . . 74.31 112.274 -173.402 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.558 ' H ' HD11 ' A' ' 12' ' ' LEU . 22.7 mt -62.78 -44.0 97.34 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.562 0.579 . . . . 74.41 112.562 -174.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.656 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 13.4 pttm -66.49 -23.09 66.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.938 0.399 . . . . 75.53 110.118 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -82.84 -35.92 25.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.754 -0.657 . . . . 61.32 110.615 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -66.77 -38.62 86.92 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.362 0.601 . . . . 74.11 109.935 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.52 ' HA2' ' HD3' ' A' ' 96' ' ' LYS . . . 133.46 39.17 0.21 Allowed Glycine 0 N--CA 1.441 -1.003 0 CA-C-N 115.169 -0.923 . . . . 62.22 112.255 -177.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.656 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 2.9 t -127.78 134.69 49.5 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.385 -0.526 . . . . 73.33 110.908 173.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.45 1.92 9.6 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.479 0.657 . . . . 73.02 109.433 170.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.422 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 21.8 t0 -103.18 83.08 2.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.317 -0.856 . . . . 73.14 110.961 -171.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.466 ' HE2' ' HB3' ' A' ' 18' ' ' CYS . 11.2 p90 -169.09 161.82 10.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.42 -0.809 . . . . 72.1 110.393 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.8 171.74 37.12 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.75 -0.54 . . . . 75.44 111.75 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.2 p -95.24 150.98 19.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.062 0.458 . . . . 71.13 111.522 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.584 ' HE3' ' OG ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -132.38 133.22 43.68 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.198 -0.667 . . . . 73.23 109.198 171.492 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 p -131.25 80.23 1.93 Allowed 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.685 0.755 . . . . 44.3 109.889 176.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.7 p -107.15 140.07 26.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 114.977 -1.011 . . . . 75.31 109.393 -177.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.5 mt -68.25 128.17 31.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.576 0.703 . . . . 70.05 111.582 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -116.8 101.45 8.56 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.819 -1.082 . . . . 73.22 108.518 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.726 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -87.26 126.54 34.89 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.254 0.55 . . . . 73.3 110.555 -175.587 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.0 t -86.05 89.91 2.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.838 -0.619 . . . . 64.24 109.722 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.721 ' HA ' HD11 ' A' ' 44' ' ' LEU . 21.1 pttp -70.47 130.83 42.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.592 -0.731 . . . . 72.43 110.595 -177.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.4 t -89.35 167.65 12.87 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.382 -0.827 . . . . 65.22 109.995 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 p -62.8 -33.2 74.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.238 0.542 . . . . 75.42 109.755 174.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -95.14 111.78 23.57 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.922 -0.77 . . . . 74.42 108.922 171.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -63.66 -75.16 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.87 -0.605 . . . . 73.41 111.46 -177.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.406 HG23 ' HA ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -166.71 150.22 6.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.052 -0.522 . . . . 73.31 109.866 -178.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -116.46 67.92 0.73 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.829 -0.434 . . . . 73.11 109.829 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.787 HD13 ' HB2' ' A' ' 42' ' ' LEU . 2.6 pt? -168.73 -162.09 0.37 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.768 -0.651 . . . . 74.43 109.999 176.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -53.03 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.602 0.715 . . . . 74.24 111.452 -178.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.693 HG22 ' H ' ' A' ' 41' ' ' GLU . 4.0 m -119.87 -175.18 2.92 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 107.841 -1.17 . . . . 54.35 107.841 178.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.693 ' H ' HG22 ' A' ' 40' ' ' THR . 36.5 mt-10 -70.17 94.87 0.93 Allowed 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.446 -0.575 . . . . 73.54 109.446 174.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.787 ' HB2' HD13 ' A' ' 38' ' ' LEU . 3.1 tm? -44.01 -60.84 1.67 Allowed 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.889 0.743 . . . . 75.12 110.241 178.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -160.65 103.15 1.36 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.114 -0.948 . . . . 74.43 109.129 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.721 HD11 ' HA ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -75.53 131.63 40.19 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.052 -1.092 . . . . 75.21 108.052 177.005 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.433 ' N ' HD12 ' A' ' 44' ' ' LEU . 11.5 m -58.19 98.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 73.24 110.462 -178.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.726 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -110.34 157.2 19.77 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.042 -0.981 . . . . 54.44 109.965 -174.497 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -132.43 141.24 48.76 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.921 -0.582 . . . . 73.23 109.613 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -73.16 108.41 6.03 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.23 -0.441 . . . . 74.12 109.941 177.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.05 76.53 1.76 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.838 -0.696 . . . . 71.12 111.637 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.66 ' CE1' HG23 ' A' ' 67' ' ' VAL . 1.5 m-85 -78.67 124.76 28.52 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.016 0.436 . . . . 72.23 110.063 177.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.584 ' OG ' ' HE3' ' A' ' 24' ' ' LYS . 2.8 m -150.51 154.83 38.33 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.313 -0.403 . . . . 73.53 110.733 -178.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.743 ' CZ ' HG12 ' A' ' 9' ' ' VAL . 27.1 t80 -112.44 123.94 51.4 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.273 -0.64 . . . . 74.41 109.273 172.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.518 ' CE2' ' HG2' ' A' ' 24' ' ' LYS . 3.4 m-85 -99.49 140.59 33.45 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.406 -0.815 . . . . 72.42 111.646 -177.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -143.57 117.22 9.22 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.409 -0.814 . . . . 75.24 108.828 168.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.422 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 16.5 m-70 62.92 21.2 12.72 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.081 0.4 . . . . 73.2 112.081 -178.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.46 7.6 84.44 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.231 -0.985 . . . . 63.25 112.41 -177.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -101.66 175.19 5.64 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 109.455 -0.572 . . . . 74.44 109.455 174.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.474 HD13 ' HB3' ' A' ' 51' ' ' SER . 23.2 mm -113.07 114.92 48.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.398 0.618 . . . . 72.3 110.422 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 89' ' ' LEU . 96.3 t -93.33 -34.87 6.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 115.15 -0.932 . . . . 75.42 109.429 175.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.536 ' HB1' ' HG ' ' A' ' 78' ' ' LEU . . . -133.25 135.16 44.78 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.402 -0.817 . . . . 71.12 110.369 179.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.454 ' HD1' ' OG ' ' A' ' 51' ' ' SER . 65.3 t80 -142.0 128.08 19.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.836 0.35 . . . . 75.35 110.156 175.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.476 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -148.57 99.89 0.2 Allowed Glycine 0 N--CA 1.44 -1.079 0 N-CA-C 111.028 -0.829 . . . . 64.41 111.028 177.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.603 ' HB3' ' HZ2' ' A' ' 63' ' ' LYS . 8.2 ttpm? -96.5 122.77 39.76 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.823 0.344 . . . . 72.31 110.403 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.441 ' HB2' ' HB1' ' A' ' 70' ' ' ALA . 57.4 m -152.08 158.2 42.67 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.351 -0.386 . . . . 71.31 110.544 178.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -69.39 -29.49 67.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.982 0.42 . . . . 73.02 110.434 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.484 ' HZ3' ' HB2' ' A' ' 66' ' ' LYS . 2.2 ttmp? -104.26 129.1 52.09 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.248 -0.433 . . . . 74.41 110.264 177.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.66 HG23 ' CE1' ' A' ' 50' ' ' PHE . 2.2 p -52.46 -47.39 47.57 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 115.659 -0.7 . . . . 72.22 111.869 -177.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.46 -40.56 75.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.406 0.521 . . . . 72.43 112.406 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -73.41 -46.84 46.31 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.123 0.487 . . . . 74.14 110.036 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.441 ' HB1' ' HB2' ' A' ' 64' ' ' SER . . . -56.99 -47.04 81.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.326 -0.852 . . . . 74.32 110.759 178.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.407 ' HG2' ' HE2' ' A' ' 75' ' ' LYS . 30.1 ttpt -64.53 -37.66 88.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.323 -1.308 . . . . 75.12 110.151 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -58.8 -49.73 76.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.269 -0.878 . . . . 74.11 110.876 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.522 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 34.8 mt -59.31 -49.78 82.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.829 -0.623 . . . . 62.23 110.565 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 59.0 ttp -52.38 -53.75 40.77 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.579 -0.737 . . . . 75.33 110.998 177.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.434 ' HA ' HG23 ' A' ' 5' ' ' ILE . 50.9 mttm -59.55 -48.24 82.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.653 -0.703 . . . . 65.04 111.464 -177.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -59.61 -25.68 64.83 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.765 0.283 . . . . 71.52 111.765 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.536 ' NE ' ' HA ' ' A' ' 77' ' ' ARG . 3.2 mmp_? -63.26 -66.05 0.6 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.691 -0.231 . . . . 71.11 110.954 177.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.553 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -68.39 -32.9 73.29 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 119.868 -0.733 . . . . 75.52 110.611 -178.164 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -50.86 -48.36 60.18 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.422 -0.585 . . . . 71.35 109.422 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -66.92 -34.27 77.4 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.806 -0.634 . . . . 72.52 111.226 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.53 ' HG ' ' HB2' ' A' ' 86' ' ' SER . 4.8 mp -68.54 -35.25 77.18 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.278 -0.419 . . . . 62.14 111.933 -177.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.424 HD23 ' CD1' ' A' ' 5' ' ' ILE . 0.9 OUTLIER -87.37 -21.38 25.69 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.846 -0.341 . . . . 74.32 111.516 179.324 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -80.71 -48.79 12.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.278 0.561 . . . . 73.24 110.547 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 85' ' ' LYS . 9.4 t70 -79.04 -21.08 47.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.663 -0.699 . . . . 74.35 110.275 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 84' ' ' ASP . 13.7 mmmm 72.46 38.71 0.79 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.141 -0.936 . . . . 72.0 110.911 -178.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.53 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 5.6 m -71.5 128.18 34.99 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.24 -0.891 . . . . 61.2 109.721 175.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -67.83 1.23 2.7 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.607 0.595 . . . . 74.53 112.607 -174.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.86 -39.51 87.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.738 0.304 . . . . 71.0 110.962 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.553 HD23 ' HB3' ' A' ' 78' ' ' LEU . 14.3 tp -94.69 -19.7 20.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.014 0.435 . . . . 72.44 110.759 175.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.3 mt -111.96 17.63 19.52 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 113.44 0.904 . . . . 72.25 113.44 -166.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -65.77 162.21 19.2 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.12 0.486 . . . . 75.5 111.718 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.5 m -87.92 145.71 25.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.65 -0.704 . . . . 72.23 111.354 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.1 p -150.94 162.24 41.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.515 -0.766 . . . . 74.41 109.062 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -105.15 73.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.55 0.214 . . . . 71.45 111.256 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 11.7 m -80.92 -45.42 16.76 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.283 -0.567 . . . . 73.14 110.088 170.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.52 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 21.8 ptmt -114.12 -37.64 4.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.917 -0.583 . . . . 75.21 109.598 175.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.424 ' CD2' ' HG3' ' A' ' 96' ' ' LYS . 23.1 p90 -169.37 -176.11 2.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.596 -0.89 . . . . 75.24 108.596 175.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.4 m -154.66 174.44 14.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.09 0.472 . . . . 61.42 110.42 170.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -104.81 125.09 50.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.092 -0.958 . . . . 74.24 108.972 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -84.43 107.0 16.45 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.964 -0.384 . . . . 74.54 109.964 -176.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.628 ' HZ1' ' HB3' ' A' ' 101' ' ' LYS . 5.0 mmmp? . . . . . 0 C--O 1.247 0.94 0 CA-C-N 114.62 -1.173 . . . . 75.45 111.659 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ttt . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 120.906 0.384 . . . . 74.41 110.471 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -89.94 154.56 19.76 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.305 -0.628 . . . . 72.42 109.305 175.712 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 129.61 57.82 0.1 Allowed Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 120.312 -0.947 . . . . 62.5 111.608 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -75.22 74.18 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.115 0.959 . . . . 75.42 109.976 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.567 HG23 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -61.46 -27.81 42.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 114.143 -1.389 . . . . 71.15 110.422 -178.897 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mp0 -64.75 -37.07 86.36 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.309 -0.859 . . . . 71.5 110.031 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.737 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 29.6 m170 -67.97 -42.69 80.46 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.506 -0.478 . . . . 74.34 109.978 175.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -58.79 -48.84 79.85 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 123.339 0.399 . . . . 75.25 110.617 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.41 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 10.4 p -65.57 -35.13 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.906 -0.588 . . . . 74.32 111.034 -177.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.444 ' CD1' ' HE1' ' A' ' 21' ' ' PHE . 15.3 m-30 -70.04 -33.42 71.94 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 109.771 -0.455 . . . . 74.42 109.771 177.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.737 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 27.0 mm-40 -56.3 -60.18 3.87 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.967 -0.56 . . . . 75.5 111.792 -175.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.459 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -82.44 -35.81 27.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.453 -0.794 . . . . 65.44 112.101 -172.475 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.459 ' H ' HD12 ' A' ' 12' ' ' LEU . 21.1 mt -63.26 -47.32 82.88 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.634 -0.426 . . . . 72.12 111.828 -179.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -65.25 -24.42 67.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.222 0.534 . . . . 53.13 109.926 178.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' A' ' 12' ' ' LEU . 31.6 t70 -73.05 -46.5 51.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.507 -0.769 . . . . 74.21 110.718 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -65.22 -33.67 76.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.729 -0.669 . . . . 70.22 110.015 178.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.579 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 121.27 36.2 0.76 Allowed Glycine 0 N--CA 1.439 -1.12 0 CA-C-N 115.312 -0.858 . . . . 65.04 112.005 -179.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 13' ' ' LEU . 4.0 t -110.0 145.42 37.01 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.43 -0.508 . . . . 74.31 110.794 174.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -133.5 -5.69 2.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.562 0.696 . . . . 70.13 110.116 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.477 ' OD1' ' HA ' ' A' ' 55' ' ' HIS . 14.0 t70 -106.16 88.28 2.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.625 -0.716 . . . . 64.51 110.41 -172.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.444 ' HE1' ' CD1' ' A' ' 10' ' ' TYR . 10.0 p90 -168.06 147.26 4.66 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.126 -0.943 . . . . 72.32 110.406 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.39 -171.74 34.56 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.712 -0.555 . . . . 73.24 111.712 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.2 p -126.21 147.07 49.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.839 0.32 . . . . 74.42 111.066 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.52 ' HG2' ' HB3' ' A' ' 51' ' ' SER . 41.0 pttt -113.33 137.19 51.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.02 0.438 . . . . 73.51 109.932 173.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.5 p -121.33 75.85 1.2 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.643 0.735 . . . . 71.02 109.525 175.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.8 t -105.51 119.98 55.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.266 -0.879 . . . . 73.05 111.135 -172.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.6 mt -74.73 128.11 36.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 119.98 -0.688 . . . . 74.22 109.784 172.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -131.19 108.27 9.6 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.645 -0.707 . . . . 71.11 109.144 -178.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.693 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -78.79 159.72 27.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.856 -0.611 . . . . 72.15 111.151 -171.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.6 t -132.7 121.89 45.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.353 -0.61 . . . . 75.22 109.353 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -71.6 78.96 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.163 0.506 . . . . 72.13 110.904 -178.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.8 t -89.22 -35.0 16.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.695 -0.684 . . . . 74.35 110.352 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -97.02 141.67 29.9 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.709 -0.478 . . . . 61.51 109.709 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -108.01 11.45 27.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.205 -0.452 . . . . 75.11 110.836 -178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -128.99 78.99 1.89 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.076 0.465 . . . . 73.53 111.156 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.63 82.6 1.62 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.355 0.598 . . . . 71.32 110.762 175.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.4 mt -99.34 1.25 44.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.391 -0.822 . . . . 75.11 111.016 -177.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.821 HD13 ' HB2' ' A' ' 42' ' ' LEU . 1.3 pt? -74.88 130.68 39.83 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.684 -0.487 . . . . 73.34 109.684 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 31.85 -93.37 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 O-C-N 124.732 1.27 . . . . 73.33 112.126 174.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.63 73.28 1.42 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.996 -0.547 . . . . 74.11 111.21 174.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 52.0 33.06 11.13 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.514 -0.766 . . . . 73.42 112.095 176.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.821 ' HB2' HD13 ' A' ' 38' ' ' LEU . 81.7 mt -60.78 -39.13 87.71 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 112.501 0.556 . . . . 71.43 112.501 -176.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.5 ' N ' HD13 ' A' ' 38' ' ' LEU . 17.1 m80 -106.18 91.52 3.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.129 0.49 . . . . 74.15 110.784 178.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.488 HD12 ' N ' ' A' ' 45' ' ' THR . 2.5 tm? -127.93 147.23 50.47 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.01 -1.107 . . . . 72.42 108.01 177.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.488 ' N ' HD12 ' A' ' 44' ' ' LEU . 1.8 m -56.56 107.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.034 0.445 . . . . 71.22 110.995 -179.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.693 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -120.07 151.04 39.61 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.038 0.446 . . . . 62.34 110.407 -178.739 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -128.48 150.87 49.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.886 -0.597 . . . . 63.14 109.854 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -87.69 117.12 26.29 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 109.572 -0.529 . . . . 72.11 109.572 173.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.98 82.71 1.09 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 121.007 -0.616 . . . . 72.25 111.641 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -78.58 139.24 38.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.668 0.271 . . . . 71.33 110.49 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.687 ' OG ' HD13 ' A' ' 58' ' ' ILE . 8.9 t -161.71 140.44 9.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.352 -0.386 . . . . 53.44 110.753 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.554 ' CG ' HD21 ' A' ' 78' ' ' LEU . 52.3 t80 -98.23 124.08 42.64 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 109.704 -0.48 . . . . 75.23 109.704 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -95.02 138.1 33.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.269 -0.878 . . . . 71.42 111.73 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.459 ' HB3' HG23 ' A' ' 59' ' ' VAL . 14.2 tpt180 -141.74 104.63 4.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.124 -0.944 . . . . 65.12 109.627 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.477 ' HA ' ' OD1' ' A' ' 20' ' ' ASP . 6.0 m-70 59.36 29.76 19.37 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.965 0.412 . . . . 61.34 111.163 -178.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.49 -3.37 86.62 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.73 -0.747 . . . . 71.3 112.41 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -97.58 175.7 6.11 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 109.273 -0.64 . . . . 75.31 109.273 177.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.687 HD13 ' OG ' ' A' ' 51' ' ' SER . 30.8 mm -116.37 121.28 67.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-O 121.403 0.62 . . . . 75.31 110.779 -178.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.503 HG12 HD13 ' A' ' 89' ' ' LEU . 89.6 t -101.68 -39.58 6.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.094 -0.957 . . . . 74.14 109.854 177.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.427 ' HB3' ' CB ' ' A' ' 52' ' ' PHE . . . -123.92 139.77 53.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.764 -0.653 . . . . 74.02 110.491 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -148.43 136.21 20.78 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.524 -0.547 . . . . 74.12 109.524 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -151.49 105.34 0.28 Allowed Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.607 -0.597 . . . . 64.11 111.607 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -93.56 120.6 34.03 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.888 -0.412 . . . . 73.24 109.888 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.536 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 62.2 m -150.57 155.05 38.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.207 0.527 . . . . 72.44 111.939 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -67.97 -23.61 65.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.445 -0.798 . . . . 65.45 110.533 175.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -105.14 126.83 52.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.62 -0.718 . . . . 63.45 110.576 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.473 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 7.2 p -56.76 -38.76 59.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 115.902 -0.59 . . . . 70.23 111.032 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.553 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . . . -70.25 -42.32 72.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.35 -0.386 . . . . 75.21 111.779 178.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -64.91 -45.82 84.29 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.989 0.423 . . . . 70.13 110.346 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.536 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -58.94 -43.54 91.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.969 0.89 . . . . 62.22 110.34 177.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.553 ' HE3' ' HA ' ' A' ' 68' ' ' ALA . 19.4 ttpp -62.43 -40.6 97.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.054 -1.43 . . . . 73.53 110.201 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -59.27 -48.81 80.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.993 -1.003 . . . . 71.11 110.837 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.0 mt -60.02 -49.73 82.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.865 -0.607 . . . . 72.01 110.897 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.497 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 56.0 ttp -50.93 -51.5 51.62 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.764 -0.653 . . . . 74.43 110.716 175.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.567 ' HA ' HG23 ' A' ' 5' ' ' ILE . 44.2 mttm -58.7 -49.19 78.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.604 -0.725 . . . . 73.52 111.539 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -59.2 -27.49 65.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.515 -0.311 . . . . 75.13 111.673 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.497 ' HB2' ' O ' ' A' ' 74' ' ' MET . 23.9 mmm180 -58.76 -66.29 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.425 -0.352 . . . . 74.23 111.1 176.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.729 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -67.01 -31.89 72.74 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 120.204 -0.598 . . . . 74.25 110.147 -179.269 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -51.31 -48.08 62.42 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.865 -0.607 . . . . 62.32 110.561 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -70.38 -32.47 70.15 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.866 -0.334 . . . . 71.14 110.906 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.557 HD21 ' CB ' ' A' ' 89' ' ' LEU . 4.1 mp -64.85 -43.59 92.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.719 -0.219 . . . . 74.43 111.552 -178.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.486 ' HA ' HD13 ' A' ' 90' ' ' LEU . 1.2 pp -78.62 -19.21 53.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.814 0.34 . . . . 72.14 111.563 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -84.89 -41.3 16.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.032 0.444 . . . . 75.11 111.036 176.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.12 -11.87 48.79 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.685 -0.689 . . . . 75.21 110.132 -176.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp 64.07 39.04 8.07 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.545 -0.752 . . . . 74.32 111.505 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.4 m -79.72 134.56 36.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.331 -0.85 . . . . 75.02 109.888 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.436 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 3.9 p-10 -74.07 5.17 4.56 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.192 0.442 . . . . 72.21 112.192 -172.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.86 -43.86 87.16 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 121.12 -0.232 . . . . 75.42 111.044 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.729 HD23 ' HB3' ' A' ' 78' ' ' LEU . 12.8 tp -100.46 -15.47 17.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.482 0.658 . . . . 73.4 110.774 174.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 82' ' ' LEU . 13.9 mt -110.36 25.92 11.25 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 113.148 0.796 . . . . 74.2 113.148 -170.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.436 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 27.8 p90 -79.56 159.55 26.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.939 0.4 . . . . 74.33 111.41 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.2 p -88.69 147.14 24.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.954 -0.566 . . . . 63.02 110.431 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 22.1 p -141.37 -173.0 3.63 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.937 -0.574 . . . . 64.14 110.086 -175.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.555 ' HA ' ' O ' ' A' ' 97' ' ' PHE . 3.6 t-20 -112.95 65.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.589 0.233 . . . . 75.2 111.255 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.579 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 13.5 m -92.25 -6.87 49.64 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.977 -0.452 . . . . 74.51 110.718 172.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.476 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 17.5 ptmt -158.07 -42.27 0.06 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.019 0.438 . . . . 74.05 110.78 -178.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.555 ' O ' ' HA ' ' A' ' 94' ' ' ASN . 25.7 p90 -143.47 -177.77 5.55 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.602 -0.888 . . . . 71.22 108.602 175.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.1 p -174.61 146.57 1.01 Allowed 'General case' 0 CA--C 1.515 -0.382 0 O-C-N 123.395 0.434 . . . . 74.34 110.852 172.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt 61.29 78.01 0.31 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.25 -0.886 . . . . 71.43 112.041 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.411 ' HB3' ' HE2' ' A' ' 100' ' ' LYS . 33.6 ttpt -99.7 -50.2 4.13 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.018 -1.104 . . . . 72.44 108.018 171.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.439 ' HD2' ' HA ' ' A' ' 101' ' ' LYS . 14.2 tptt . . . . . 0 C--O 1.252 1.233 0 CA-C-N 114.531 -1.213 . . . . 70.4 109.023 173.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 120.822 0.344 . . . . 72.54 110.726 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -137.46 114.18 10.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.825 -0.625 . . . . 74.32 109.675 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.54 127.17 8.23 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.786 -0.721 . . . . 64.31 112.197 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -96.0 43.66 1.08 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.651 0.241 . . . . 74.23 111.651 -176.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.526 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -61.83 -32.95 55.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 120.623 0.249 . . . . 73.43 110.552 -178.557 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -64.93 -33.85 77.02 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.145 0.497 . . . . 71.34 109.981 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.585 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 6.5 t-160 -63.09 -46.29 88.08 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.122 -0.695 . . . . 74.41 109.122 176.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.497 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 59.5 mmtt -61.58 -52.23 65.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.624 -0.716 . . . . 64.31 111.246 -175.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.612 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 3.7 p -61.76 -41.14 89.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 73.23 111.89 -175.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.402 ' CD1' HG12 ' A' ' 9' ' ' VAL . 12.3 m-30 -71.5 -27.63 63.35 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.571 -0.452 . . . . 73.32 110.067 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 16.5 mm-40 -57.3 -54.46 46.53 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.866 -0.607 . . . . 71.45 111.312 -177.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.624 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -85.54 -41.43 15.3 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.671 -0.695 . . . . 73.14 111.108 -175.614 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.805 HD22 ' CD2' ' A' ' 21' ' ' PHE . 2.9 mp -51.84 -45.78 64.12 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.136 0.791 . . . . 71.12 113.136 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 18.2 pttm -66.16 -29.27 69.53 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.97 -0.381 . . . . 74.31 109.97 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -73.57 -41.67 62.62 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.399 0.619 . . . . 65.34 110.442 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.624 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 21.7 mt-30 -64.1 -9.55 17.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.999 -1.0 . . . . 74.52 110.784 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.649 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 92.47 33.65 7.44 Favored Glycine 0 N--CA 1.433 -1.514 0 CA-C-N 115.55 -0.75 . . . . 55.22 111.778 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.534 ' HB3' ' HE2' ' A' ' 21' ' ' PHE . 2.3 t -115.7 139.95 49.66 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 120.164 -0.614 . . . . 61.14 111.174 173.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.404 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -120.92 -8.69 9.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.154 0.502 . . . . 74.11 109.994 168.862 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.58 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 21.6 t0 -93.1 88.35 6.06 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.489 -0.778 . . . . 43.02 111.235 -173.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.805 ' CD2' HD22 ' A' ' 13' ' ' LEU . 6.2 p90 -168.1 165.49 13.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.776 -1.102 . . . . 73.15 111.122 177.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.65 -179.38 42.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.221 -0.514 . . . . 71.41 112.21 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.1 p -112.76 134.58 54.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.785 0.292 . . . . 65.31 110.949 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.88 149.0 24.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.876 -0.416 . . . . 73.53 109.876 177.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.9 p -144.76 96.57 2.88 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.286 0.565 . . . . 72.1 110.41 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.2 p -137.6 143.24 34.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.861 -0.609 . . . . 72.05 109.448 178.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 64.7 mt -74.18 127.87 36.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.231 0.539 . . . . 72.14 110.72 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -118.75 92.9 3.92 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.457 -0.942 . . . . 70.0 108.457 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.477 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -81.61 141.85 33.32 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.721 -1.127 . . . . 75.32 111.335 -169.711 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.8 t -95.69 122.73 47.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.559 -0.746 . . . . 73.51 109.077 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -76.59 61.34 1.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.967 0.413 . . . . 71.44 111.82 -172.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.2 t -81.48 -43.7 18.45 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.152 -0.685 . . . . 71.22 109.152 174.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.0 m -104.64 86.41 2.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.603 -0.726 . . . . 72.4 109.668 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -96.75 -39.78 9.29 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.526 -0.546 . . . . 71.43 109.526 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.2 117.97 29.36 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.158 -0.682 . . . . 73.4 109.158 175.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 t -133.86 173.18 11.83 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.874 -0.603 . . . . 74.23 109.948 -173.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -96.74 20.61 10.65 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.007 0.373 . . . . 65.3 112.007 -172.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.776 HD11 ' HB2' ' A' ' 42' ' ' LEU . 1.3 pt? -142.43 -179.79 6.49 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.945 -0.302 . . . . 75.12 110.33 174.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -52.47 -73.46 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.908 0.755 . . . . 64.44 112.095 -175.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.22 167.13 10.52 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.414 -0.812 . . . . 75.21 109.704 -179.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -58.69 97.3 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 O-C-N 123.13 0.269 . . . . 72.01 110.729 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.776 ' HB2' HD11 ' A' ' 38' ' ' LEU . 59.7 tp -46.92 -59.14 3.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.532 0.682 . . . . 74.05 109.407 172.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.3 p-80 -164.81 161.48 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.967 -1.123 . . . . 73.41 107.967 169.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -155.0 -171.38 3.81 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.688 -0.486 . . . . 73.11 109.688 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 m -66.38 94.78 0.28 Allowed 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.533 0.682 . . . . 71.33 110.211 177.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -114.55 153.97 29.11 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.493 -0.776 . . . . 74.12 110.146 -175.379 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -130.73 131.95 45.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.128 -0.487 . . . . 73.24 110.463 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.522 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 4.9 m-30 -71.19 108.52 4.73 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.794 -0.639 . . . . 74.5 109.722 176.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.63 83.77 1.23 Allowed Glycine 0 N--CA 1.441 -0.971 0 C-N-CA 120.846 -0.693 . . . . 74.23 111.585 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.459 ' CE2' HG22 ' A' ' 67' ' ' VAL . 4.6 m-85 -86.38 131.07 34.29 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.007 0.432 . . . . 73.51 109.842 175.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.515 ' HB3' HD13 ' A' ' 58' ' ' ILE . 11.7 m -153.29 152.4 31.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.181 -0.463 . . . . 64.03 110.233 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.582 ' CG ' HD23 ' A' ' 78' ' ' LEU . 30.7 t80 -107.85 126.9 53.22 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.721 -0.474 . . . . 75.32 109.721 175.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -99.2 135.71 40.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.539 -0.755 . . . . 74.4 111.663 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.464 HH21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -140.81 104.52 4.71 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.331 -0.988 . . . . 74.33 108.331 175.78 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.58 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 10.6 m-70 63.79 33.35 12.88 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.156 -0.475 . . . . 73.43 111.689 -173.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.44 -4.96 57.87 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.572 -0.823 . . . . 75.22 112.416 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -88.71 173.38 8.62 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 109.484 -0.561 . . . . 72.23 109.484 176.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.515 HD13 ' HB3' ' A' ' 51' ' ' SER . 23.0 mm -109.99 117.19 54.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-O 121.447 0.641 . . . . 72.43 110.614 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.513 HG13 ' HB2' ' A' ' 89' ' ' LEU . 72.6 t -96.12 -38.66 8.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.112 -0.949 . . . . 73.05 109.831 176.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -128.34 142.59 51.08 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.709 -0.678 . . . . 63.12 110.452 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -145.29 138.76 26.61 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.676 -0.49 . . . . 75.23 109.676 175.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.69 107.35 0.27 Allowed Glycine 0 N--CA 1.44 -1.08 0 N-CA-C 111.507 -0.637 . . . . 52.25 111.507 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 7.6 ptpp? -101.88 144.29 30.72 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.375 -0.602 . . . . 72.54 109.375 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.3 t -159.91 162.09 34.44 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.846 -0.615 . . . . 75.12 109.767 -178.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -70.47 -20.12 62.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.642 0.258 . . . . 74.5 110.59 -178.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.451 ' HD3' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -118.01 144.91 45.16 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.14 -0.482 . . . . 62.25 110.566 -179.611 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.521 HG23 ' HE2' ' A' ' 71' ' ' LYS . 3.6 p -61.01 -45.11 99.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.618 -0.719 . . . . 73.23 111.731 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.77 97.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.723 0.297 . . . . 72.32 111.427 -177.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -46.73 74.47 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.849 -0.426 . . . . 73.15 109.849 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.37 -49.52 76.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.774 -0.648 . . . . 75.31 111.438 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.521 ' HE2' HG23 ' A' ' 67' ' ' VAL . 56.6 mtmt -56.39 -43.95 79.76 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.082 0.468 . . . . 74.35 110.589 177.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -55.31 -46.4 76.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.386 -0.825 . . . . 73.13 111.148 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 35.5 mt -60.8 -53.72 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.64 -0.709 . . . . 73.1 111.579 -178.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.46 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.6 ptt? -62.61 -37.66 87.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.542 -0.299 . . . . 73.41 110.738 -177.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.526 ' HA ' HG21 ' A' ' 5' ' ' ILE . 60.9 mttm -57.45 -50.66 72.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.616 -0.265 . . . . 75.22 110.773 178.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -59.57 -24.53 63.81 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.212 -0.449 . . . . 73.31 111.406 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.501 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 14.6 mmt85 -62.23 -66.57 0.52 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.5 -0.318 . . . . 74.05 110.457 178.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.798 ' HB3' HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -66.93 -31.96 72.9 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 120.64 -0.424 . . . . 74.1 110.221 -179.394 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -51.75 -45.0 63.52 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.813 -0.631 . . . . 74.23 110.526 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.417 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -75.22 -30.71 60.66 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.893 -0.323 . . . . 73.32 111.156 178.242 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 87.0 mt -66.14 -39.48 89.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.638 -0.255 . . . . 74.55 111.072 -177.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.474 ' HA ' HD12 ' A' ' 90' ' ' LEU . 1.1 pp -80.82 -22.04 40.34 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.739 0.274 . . . . 70.42 111.739 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -82.13 -37.75 25.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.282 0.563 . . . . 71.51 110.623 176.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -83.83 -19.51 34.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.591 -0.731 . . . . 62.22 110.01 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.455 ' HA ' ' CD1' ' A' ' 90' ' ' LEU . 48.9 mmtm 65.43 46.61 2.5 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.191 -0.913 . . . . 73.44 109.665 -175.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 m -81.07 134.76 35.72 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.664 -1.153 . . . . 74.14 109.809 177.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -64.91 -10.81 31.62 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.234 0.457 . . . . 75.45 112.234 -176.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.418 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -57.13 -39.67 75.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.673 0.273 . . . . 71.53 111.478 -176.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.798 HD21 ' HB3' ' A' ' 78' ' ' LEU . 24.0 tp -107.86 -21.28 12.9 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.424 0.631 . . . . 73.21 110.596 177.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 82' ' ' LEU . 8.0 mt -109.51 24.35 13.19 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.503 -0.771 . . . . 73.03 112.225 -169.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -73.04 158.8 34.71 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.076 0.465 . . . . 75.44 110.943 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.9 m -83.82 140.99 31.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.337 -0.847 . . . . 64.21 110.551 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.6 p -145.3 163.31 34.89 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.622 -0.717 . . . . 72.03 109.427 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -106.74 70.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.507 -0.477 . . . . 74.14 111.376 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.649 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 40.8 m -85.21 -34.4 22.03 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 119.937 -0.705 . . . . 74.11 110.237 170.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.509 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 22.4 ptmt -120.83 -41.14 2.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.139 -0.482 . . . . 73.4 109.824 172.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.509 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 31.8 p90 -168.91 170.78 8.84 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.133 -0.692 . . . . 75.01 109.133 174.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.4 p -179.62 -152.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.708 0.63 . . . . 63.21 109.84 174.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -111.72 155.42 23.5 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 120.859 0.362 . . . . 72.52 110.467 -175.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.727 ' HG3' ' HG2' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -81.47 -73.24 0.39 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.027 -0.533 . . . . 75.33 110.59 -178.42 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.727 ' HG2' ' HG3' ' A' ' 100' ' ' LYS . 34.4 mmtp . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.614 -0.708 . . . . 63.12 110.01 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.923 ' HG3' ' HD3' ' A' ' 2' ' ' LYS . 3.3 tpt . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 109.68 -0.489 . . . . 75.22 109.68 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.923 ' HD3' ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -172.77 139.79 0.92 Allowed 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.33 -0.618 . . . . 74.23 109.33 173.028 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.65 -154.37 29.52 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.6 -0.809 . . . . 64.43 112.572 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.51 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 23.4 t70 -94.63 134.31 37.34 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.31 -0.255 . . . . 64.53 110.31 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.561 ' CG2' ' HG2' ' A' ' 75' ' ' LYS . 4.0 tp -72.44 -28.3 28.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.027 0.38 . . . . 71.32 112.027 -171.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.598 ' O ' ' HD1' ' A' ' 10' ' ' TYR . 41.4 mt-10 -65.81 -43.0 89.94 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 109.043 -0.725 . . . . 61.35 109.043 -177.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.423 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 68.5 m80 -57.05 -43.94 82.5 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.561 -0.745 . . . . 72.53 110.201 175.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 66.9 mmtt -62.35 -51.16 68.73 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.218 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.625 HG12 ' CZ ' ' A' ' 52' ' ' PHE . 57.1 t -48.67 -52.69 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 O-C-N 123.891 0.744 . . . . 63.05 111.295 178.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.598 ' HD1' ' O ' ' A' ' 6' ' ' GLU . 27.1 m-85 -64.06 -45.15 90.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.579 -0.282 . . . . 63.23 110.465 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 22.1 mm-40 -50.88 -39.52 54.17 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.836 0.68 . . . . 73.52 112.836 -174.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.548 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -100.63 -48.1 4.63 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.505 -0.478 . . . . 62.51 112.226 -179.124 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.843 HD12 HH11 ' A' ' 54' ' ' ARG . 25.6 mt -59.31 -44.03 92.59 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.256 0.465 . . . . 73.01 112.256 -173.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.641 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 18.9 pttp -65.42 -28.04 68.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.295 0.569 . . . . 73.51 109.942 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.52 -13.27 43.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.462 -0.79 . . . . 75.2 111.074 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.548 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 36.0 mt-30 -82.15 -28.55 32.07 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.595 0.712 . . . . 74.14 109.422 173.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.537 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 116.35 29.98 2.18 Favored Glycine 0 N--CA 1.437 -1.257 0 CA-C-N 114.976 -1.011 . . . . 53.32 111.515 -174.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.641 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 4.3 t -121.45 134.24 55.08 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.721 -0.391 . . . . 63.25 110.021 173.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.22 -1.9 9.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.556 0.693 . . . . 73.5 109.841 170.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -94.88 84.17 4.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.193 -0.912 . . . . 74.43 110.738 -173.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 6.7 p90 -165.2 161.77 19.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.508 -0.769 . . . . 72.12 111.217 176.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.3 -176.96 45.82 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.877 -0.601 . . . . 72.05 111.812 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.2 p -123.5 144.81 49.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.07 0.435 . . . . 74.22 111.035 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -126.21 151.24 47.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 74.32 110.433 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.8 p -129.21 75.21 1.63 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.546 0.689 . . . . 71.32 109.654 174.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -88.95 131.17 36.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.523 -0.762 . . . . 75.33 109.729 -178.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.2 mt -78.85 127.87 38.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.165 0.507 . . . . 73.42 111.102 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -116.3 101.33 8.58 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.69 -0.855 . . . . 70.11 108.69 172.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.555 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -79.94 130.26 35.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.726 -0.67 . . . . 74.41 110.354 -177.778 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.0 t -93.39 99.13 9.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.942 -0.762 . . . . 62.25 108.942 175.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.84 ' HA ' HD23 ' A' ' 44' ' ' LEU . 10.3 pttp -75.66 158.23 32.65 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.95 -0.568 . . . . 74.44 109.516 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.7 t -105.58 -166.65 1.23 Allowed 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.155 0.502 . . . . 71.43 110.208 -175.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.4 t -129.63 23.4 5.44 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.497 -0.927 . . . . 72.2 108.497 176.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -64.62 156.0 31.45 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.171 -0.922 . . . . 63.14 110.98 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HB2' ' HE3' ' A' ' 35' ' ' LYS . 46.3 mtmt -88.48 91.82 8.94 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.589 -0.893 . . . . 73.12 108.589 172.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.3 t -76.95 165.74 24.26 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.538 -0.756 . . . . 74.22 110.842 -172.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.3 mt -104.36 4.25 33.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 75.11 110.893 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -139.7 -163.72 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.325 -0.398 . . . . 64.34 110.352 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -44.42 -66.04 0.44 Allowed 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.845 0.715 . . . . 73.25 112.025 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.9 p -127.49 -171.79 2.51 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.073 -0.714 . . . . 65.44 109.073 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.34 95.97 2.25 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 108.03 -1.1 . . . . 74.31 108.03 167.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.6 tt -32.4 -56.86 0.34 Allowed 'General case' 0 N--CA 1.473 0.682 0 O-C-N 124.284 0.99 . . . . 72.31 111.972 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -125.32 136.46 53.5 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.612 -0.514 . . . . 74.53 109.612 176.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.84 HD23 ' HA ' ' A' ' 31' ' ' LYS . 1.5 pp -136.44 178.08 7.34 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.228 -0.442 . . . . 63.22 110.461 178.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.2 m -83.19 103.72 12.82 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.394 0.616 . . . . 74.13 110.565 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -106.92 152.05 24.46 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.678 -0.692 . . . . 74.52 109.806 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -124.82 148.08 48.39 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.457 0.646 . . . . 74.31 111.655 -173.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -83.48 108.85 16.89 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.732 -1.122 . . . . 75.12 110.236 176.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.56 72.54 2.72 Favored Glycine 0 N--CA 1.442 -0.945 0 C-N-CA 120.807 -0.711 . . . . 73.32 111.505 176.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -69.25 121.27 16.48 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.496 -0.557 . . . . 74.44 109.496 176.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.692 ' OG ' HD12 ' A' ' 58' ' ' ILE . 7.4 t -142.46 142.8 32.37 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.313 -0.555 . . . . 53.34 110.87 -177.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.625 ' CZ ' HG12 ' A' ' 9' ' ' VAL . 69.0 t80 -95.96 126.71 41.39 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.907 -0.588 . . . . 73.23 110.227 177.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -102.18 137.77 40.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.15 0.906 . . . . 75.02 111.209 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.843 HH11 HD12 ' A' ' 13' ' ' LEU . 13.0 ttt180 -149.57 126.7 11.31 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.335 -0.848 . . . . 73.54 109.359 171.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 53.93 32.53 15.44 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.423 0.527 . . . . 75.34 112.423 -175.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.22 9.75 81.04 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.657 -0.782 . . . . 72.43 112.754 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -111.87 174.24 5.97 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 109.587 -0.523 . . . . 64.22 109.587 176.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.692 HD12 ' OG ' ' A' ' 51' ' ' SER . 29.2 mm -108.53 116.82 52.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.604 -0.725 . . . . 73.1 110.486 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.53 HG12 HD13 ' A' ' 89' ' ' LEU . 60.5 t -93.8 -37.82 8.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.541 -0.754 . . . . 75.51 110.079 176.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -132.43 139.98 48.25 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.123 -0.49 . . . . 71.24 111.109 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.416 ' CE2' ' HB2' ' A' ' 63' ' ' LYS . 54.4 t80 -139.21 135.53 34.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.901 0.381 . . . . 71.33 110.11 172.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -146.57 109.94 0.51 Allowed Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.861 -0.609 . . . . 73.13 111.606 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.416 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 38.7 ttmt -103.56 118.12 35.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.547 0.213 . . . . 75.34 110.487 -177.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.6 t -149.71 168.8 22.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.94 0.4 . . . . 51.32 110.795 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -86.13 -9.68 56.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.871 -0.604 . . . . 75.22 110.234 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.574 ' HB2' ' HB3' ' A' ' 69' ' ' ASN . 19.9 mmtm -107.1 129.26 54.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.826 -0.624 . . . . 74.45 109.32 176.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.545 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 7.9 p -54.83 -43.47 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.027 0.441 . . . . 75.34 110.644 176.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.456 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . . . -74.34 -34.42 63.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.943 -0.571 . . . . 53.24 112.162 -178.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.574 ' HB3' ' HB2' ' A' ' 66' ' ' LYS . 3.0 t-20 -73.4 -45.76 52.79 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.771 0.319 . . . . 75.11 110.161 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.427 ' HA ' HD11 ' A' ' 73' ' ' ILE . . . -57.5 -47.12 82.8 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.856 0.836 . . . . 72.45 109.923 175.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 67' ' ' VAL . 23.1 ttpt -59.36 -41.39 89.14 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.008 -1.451 . . . . 73.3 110.147 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.435 ' HB3' ' O ' ' A' ' 69' ' ' ASN . 53.4 t80 -59.07 -47.68 84.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.622 -0.717 . . . . 75.04 111.27 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.427 HD11 ' HA ' ' A' ' 70' ' ' ALA . 45.6 mt -58.54 -53.14 50.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.948 -0.569 . . . . 74.55 111.16 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.2 ptt? -61.43 -36.89 81.64 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.793 -0.363 . . . . 62.43 110.218 178.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.561 ' HG2' ' CG2' ' A' ' 5' ' ' ILE . 79.2 mttt -55.99 -50.62 70.34 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-O 120.367 0.127 . . . . 72.11 110.813 176.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -57.38 -28.79 63.52 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.162 -0.472 . . . . 71.4 111.665 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.545 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 36.5 mmt180 -60.67 -64.99 0.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.385 -0.37 . . . . 74.22 110.484 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.717 ' HB3' HD21 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -67.36 -32.12 72.83 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.663 -0.415 . . . . 73.34 110.67 179.523 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 3.2 tm? -53.48 -51.3 63.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.149 -0.478 . . . . 73.12 109.879 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -65.63 -31.37 72.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.232 -0.44 . . . . 65.41 110.791 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 89.8 mt -68.29 -38.17 81.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.649 -0.25 . . . . 75.35 111.065 -177.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.511 ' HA ' HD11 ' A' ' 90' ' ' LEU . 1.4 pp -81.06 -35.27 31.98 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.797 -0.361 . . . . 73.41 111.127 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -67.32 -37.09 82.75 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.385 0.612 . . . . 72.32 110.796 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -89.15 -17.23 29.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.466 -0.788 . . . . 70.43 110.166 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 63.39 48.97 3.34 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.209 -0.905 . . . . 74.32 110.511 -177.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.3 m -88.16 144.2 26.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.917 -1.038 . . . . 73.42 110.529 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.584 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 2.9 p-10 -77.87 7.52 5.83 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.459 0.54 . . . . 74.13 112.459 -173.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.71 -37.87 73.59 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 121.054 -0.258 . . . . 75.25 111.252 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.717 HD21 ' HB3' ' A' ' 78' ' ' LEU . 14.0 tp -109.29 -25.79 10.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.398 0.618 . . . . 75.02 110.283 177.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.511 HD11 ' HA ' ' A' ' 82' ' ' LEU . 5.6 mt -105.01 24.78 11.41 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.478 -0.783 . . . . 64.33 112.122 -170.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.584 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 43.2 p90 -73.65 164.48 26.59 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.227 0.537 . . . . 73.23 111.654 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.3 m -85.32 134.06 34.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.531 -0.758 . . . . 73.03 110.069 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.1 p -137.33 179.43 6.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.848 -0.615 . . . . 72.32 110.288 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -113.87 76.61 0.99 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.914 0.387 . . . . 73.14 111.128 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.537 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 65.0 m -98.79 -1.49 40.28 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.287 0.565 . . . . 70.23 109.616 164.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.622 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 19.3 ptmt -163.5 -56.52 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.263 -0.88 . . . . 74.31 110.144 177.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.622 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 34.8 p90 -168.17 164.47 13.35 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 110.087 -0.338 . . . . 73.52 110.087 177.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.3 p 174.38 175.79 0.16 Allowed 'General case' 0 C--O 1.235 0.339 0 O-C-N 123.944 0.777 . . . . 73.2 110.159 174.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' A' ' 99' ' ' LYS . 19.4 mtmt -97.69 5.24 49.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.617 -0.72 . . . . 72.23 110.955 -175.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.579 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -91.94 125.23 36.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.13 -0.486 . . . . 74.34 110.311 -177.639 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.571 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 2.6 mptp? . . . . . 0 C--O 1.249 1.04 0 N-CA-C 109.545 -0.539 . . . . 75.1 109.545 173.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.7 ttp . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.527 0.203 . . . . 74.4 111.381 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -100.63 137.56 38.87 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.835 0.35 . . . . 72.52 111.342 -175.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.22 177.98 16.12 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.947 -0.57 . . . . 64.34 113.043 174.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 8.2 t70 -78.03 130.99 37.14 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.99 -0.374 . . . . 63.44 109.99 177.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.562 ' O ' HG23 ' A' ' 9' ' ' VAL . 6.1 tp -68.1 -31.6 52.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.105 -0.498 . . . . 65.45 111.691 -172.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.64 -45.84 88.4 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.502 -0.555 . . . . 64.52 109.502 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.671 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 56.4 m80 -54.3 -45.99 72.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.892 -0.594 . . . . 74.35 110.341 174.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 65.0 mmtt -61.0 -52.64 64.16 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.225 0.328 . . . . 75.42 110.484 -178.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.655 HG12 ' CZ ' ' A' ' 52' ' ' PHE . 59.9 t -53.12 -44.73 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 115.724 -0.671 . . . . 72.53 110.836 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.601 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 11.8 m-30 -65.33 -46.95 78.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.679 -0.489 . . . . 75.53 109.679 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.671 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 22.2 mm-40 -48.79 -53.8 17.69 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.759 0.662 . . . . 65.01 112.637 -173.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.518 HD11 ' H ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -85.02 -40.77 16.47 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.009 -0.541 . . . . 75.43 111.832 -174.68 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 89' ' ' LEU . 21.9 mt -63.86 -47.08 82.12 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.194 0.442 . . . . 71.34 112.194 -177.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 20.4 pttp -68.54 -17.29 64.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.171 0.51 . . . . 72.25 109.86 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.427 ' HB3' ' O ' ' A' ' 12' ' ' LEU . 17.5 t70 -77.52 -46.81 21.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.484 -0.78 . . . . 71.42 110.713 175.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 13.8 mt-30 -62.37 -31.15 71.76 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.711 -0.677 . . . . 74.12 110.224 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.599 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 119.29 36.18 0.88 Allowed Glycine 0 N--CA 1.437 -1.256 0 CA-C-N 114.999 -1.001 . . . . 65.42 111.622 -177.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 6.7 t -119.82 127.44 52.78 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.672 -0.411 . . . . 71.21 110.834 175.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -137.08 69.61 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.691 0.757 . . . . 61.13 109.494 166.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -153.01 80.83 1.2 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.608 -1.178 . . . . 74.13 108.13 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.42 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 3.8 p90 -165.54 161.54 18.6 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.942 -1.027 . . . . 63.55 110.328 -177.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.66 -172.23 45.19 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.381 -0.687 . . . . 75.25 111.381 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.4 p -125.38 144.01 50.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.974 0.387 . . . . 74.23 111.286 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.33 123.89 32.92 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.392 0.615 . . . . 72.34 110.245 171.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.6 p -97.21 82.51 3.18 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.571 -0.74 . . . . 73.14 109.784 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -85.23 162.51 2.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.052 -0.721 . . . . 75.1 109.052 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.2 mt -111.19 130.51 64.54 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-O 121.038 0.446 . . . . 73.33 110.665 176.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -121.01 103.88 9.37 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.39 -0.823 . . . . 74.42 109.115 174.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.64 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -79.09 135.03 36.73 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.862 -0.608 . . . . 74.12 110.605 -176.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.8 t -82.96 93.32 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-O 121.662 0.744 . . . . 71.33 109.491 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.5 mttp -57.62 113.79 1.97 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.447 -1.252 . . . . 74.4 110.373 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.3 m -86.36 -172.22 3.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.916 -0.584 . . . . 73.12 110.491 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.8 p -58.92 -62.55 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.25 -0.432 . . . . 74.25 110.308 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -73.2 120.06 18.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.761 -0.654 . . . . 75.1 109.633 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -120.14 137.63 54.05 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.393 -0.367 . . . . 75.44 110.835 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -163.15 132.82 4.24 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.536 -0.542 . . . . 75.1 109.536 176.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.461 HD11 ' O ' ' A' ' 37' ' ' LEU . 3.7 pp -103.55 130.81 51.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.481 -0.327 . . . . 72.54 110.481 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -169.18 -171.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.147 -0.478 . . . . 74.54 110.133 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -36.79 -54.17 0.92 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 124.584 1.178 . . . . 74.15 113.188 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.1 p -105.98 -7.89 17.87 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.225 -0.443 . . . . 74.11 112.113 -176.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 61.32 25.09 15.11 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.438 -0.578 . . . . 71.33 109.438 -172.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.6 tp 65.12 21.34 12.17 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 114.796 -1.093 . . . . 71.25 110.405 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 58.13 74.16 0.44 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.56 -0.746 . . . . 72.25 109.852 -173.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.0 tp -85.88 134.62 33.89 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.145 -0.934 . . . . 74.31 109.327 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.4 m -58.48 102.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.494 0.664 . . . . 72.15 109.953 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.64 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -112.51 156.66 22.24 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.279 -0.873 . . . . 75.15 110.003 -176.09 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.451 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 19.7 m-85 -124.78 138.17 54.29 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.146 -0.479 . . . . 74.24 110.617 -179.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 5.0 m-30 -74.72 109.06 7.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.573 -0.74 . . . . 74.21 110.042 176.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.59 71.46 2.99 Favored Glycine 0 N--CA 1.441 -1.022 0 N-CA-C 111.12 -0.792 . . . . 61.34 111.12 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.76 135.91 55.53 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.902 -0.407 . . . . 74.13 109.902 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.486 ' HB2' HD13 ' A' ' 58' ' ' ILE . 6.9 p -157.31 149.27 22.5 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.067 0.46 . . . . 61.42 111.463 -178.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.655 ' CZ ' HG12 ' A' ' 9' ' ' VAL . 38.8 t80 -106.64 121.28 44.02 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.539 -0.755 . . . . 72.04 109.736 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -91.04 143.72 26.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.464 -0.789 . . . . 74.35 111.258 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.499 ' HB3' HG23 ' A' ' 59' ' ' VAL . 14.0 tpt180 -148.01 104.46 3.56 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.085 -0.961 . . . . 72.52 110.018 -178.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 59.96 28.38 17.89 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.238 0.336 . . . . 64.02 111.483 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.88 -3.21 84.73 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.922 -0.656 . . . . 74.13 112.395 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -101.62 175.88 5.41 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.798 -0.445 . . . . 73.12 109.798 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.486 HD13 ' HB2' ' A' ' 51' ' ' SER . 22.3 mm -113.61 118.82 59.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.765 -0.652 . . . . 74.53 110.789 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.499 HG23 ' HB3' ' A' ' 54' ' ' ARG . 79.7 t -95.01 -38.93 9.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.717 -0.674 . . . . 72.12 109.798 176.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.422 ' HB3' ' HG ' ' A' ' 78' ' ' LEU . . . -128.96 140.68 51.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.966 -0.561 . . . . 75.22 110.748 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.473 ' CD2' ' HB3' ' A' ' 51' ' ' SER . 42.9 t80 -147.74 136.03 21.48 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.746 -0.464 . . . . 74.12 109.746 173.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -151.37 96.86 0.17 Allowed Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 111.571 -0.612 . . . . 55.53 111.571 177.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 29.5 ttpt -86.59 115.47 24.08 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 120.777 0.322 . . . . 72.52 110.952 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.472 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 37.5 t -147.69 152.84 38.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.16 -0.473 . . . . 65.1 110.738 -177.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -70.35 -28.74 65.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.382 0.61 . . . . 72.24 110.168 -179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.557 ' HE3' ' HB1' ' A' ' 68' ' ' ALA . 44.3 tttp -93.11 122.27 35.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.334 -0.848 . . . . 73.53 109.451 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 15.0 p -55.2 -39.48 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.785 0.326 . . . . 75.23 110.596 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.561 ' HA ' ' CE ' ' A' ' 71' ' ' LYS . . . -69.52 -35.49 75.55 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.315 -0.402 . . . . 74.11 111.859 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.408 ' HB2' ' HD3' ' A' ' 66' ' ' LYS . 12.3 t30 -77.32 -40.72 43.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.77 0.319 . . . . 74.23 110.14 -177.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.472 ' HB2' ' HB3' ' A' ' 64' ' ' SER . . . -58.67 -46.18 87.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.926 -0.579 . . . . 74.4 110.525 174.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.561 ' CE ' ' HA ' ' A' ' 68' ' ' ALA . 50.1 mtmt -56.11 -47.73 77.53 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.769 -0.65 . . . . 74.41 110.168 173.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -54.77 -47.35 74.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.167 -0.924 . . . . 74.44 111.528 -175.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.44 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 37.1 mt -59.7 -55.48 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.769 -0.65 . . . . 74.15 111.407 -179.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.481 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.4 ptt? -62.27 -39.01 91.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.541 -0.3 . . . . 74.2 110.666 -178.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.516 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 54.6 mttm -55.62 -50.92 68.88 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 120.629 0.252 . . . . 72.12 110.36 178.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -63.35 -20.29 65.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.909 -0.587 . . . . 71.33 111.65 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 14.0 mmt85 -66.98 -65.87 0.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.515 -0.311 . . . . 72.53 110.659 178.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.639 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -65.92 -30.18 70.72 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.282 -0.567 . . . . 74.32 110.68 179.059 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.453 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 3.0 tm? -54.77 -49.7 70.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 73.14 109.951 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -64.84 -30.13 71.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.48 -0.327 . . . . 74.31 111.112 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.496 HD22 ' HB2' ' A' ' 89' ' ' LEU . 5.6 mp -69.22 -35.83 76.59 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.462 -0.335 . . . . 73.13 111.401 -179.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.461 HD23 HD13 ' A' ' 5' ' ' ILE . 1.5 pp -86.13 -22.48 27.04 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.83 -0.348 . . . . 73.23 111.373 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 79' ' ' LEU . 7.8 mm-40 -78.31 -40.37 36.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.269 0.557 . . . . 54.41 110.357 176.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -91.99 -16.29 26.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.657 -0.701 . . . . 75.1 110.49 -177.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 64.88 44.86 3.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.254 -0.885 . . . . 74.31 110.935 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.8 m -80.0 134.86 36.27 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.084 -0.962 . . . . 71.41 109.943 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -67.0 -3.35 6.93 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.78 0.659 . . . . 72.34 112.78 -173.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.38 -40.57 97.59 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 121.056 -0.257 . . . . 65.52 111.193 -176.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.639 HD23 ' HB3' ' A' ' 78' ' ' LEU . 12.2 tp -102.55 -13.59 17.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.511 0.672 . . . . 72.35 110.688 175.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.0 mt -113.67 21.1 15.35 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 112.881 0.696 . . . . 75.44 112.881 -170.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -70.1 160.81 31.34 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.069 0.461 . . . . 73.44 111.628 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.2 m -84.78 147.18 26.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.654 -0.703 . . . . 74.44 110.32 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.4 p -148.7 -178.85 6.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.284 -0.416 . . . . 60.21 110.586 -175.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -108.96 77.42 1.07 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.299 -0.409 . . . . 64.4 110.839 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.599 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 25.6 m -102.07 -25.16 13.83 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.268 -0.573 . . . . 72.03 110.978 166.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.473 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 21.4 ptmt -127.45 -42.71 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 71.41 110.579 178.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.473 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 21.4 p90 -160.88 -179.05 7.24 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.863 -0.792 . . . . 74.15 108.863 176.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.0 p -173.39 170.2 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.221 0.534 . . . . 71.13 111.253 173.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 99' ' ' LYS . 16.7 mtmt -103.28 165.79 10.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.918 -1.037 . . . . 62.33 109.82 -176.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.527 ' HD3' ' HB2' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -79.69 -18.4 51.41 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.668 -0.493 . . . . 72.23 109.668 178.166 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.527 ' HB2' ' HD3' ' A' ' 100' ' ' LYS . 1.6 tptm . . . . . 0 C--O 1.247 0.957 0 CA-C-N 115.294 -0.866 . . . . 72.22 109.386 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 112.055 0.391 . . . . 60.31 112.055 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -108.47 88.75 2.8 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.009 -0.367 . . . . 74.33 110.009 175.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.15 -160.03 53.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.651 -0.785 . . . . 65.25 111.229 -175.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -94.51 115.87 28.11 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.242 0.544 . . . . 72.52 110.646 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -66.52 -29.0 45.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.466 -0.788 . . . . 73.32 110.4 -177.229 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -62.89 -36.0 81.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.607 -0.724 . . . . 72.4 110.001 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.513 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 39.0 m170 -68.03 -40.21 82.95 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.357 -0.383 . . . . 73.25 110.192 177.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -62.47 -48.33 80.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 72.14 110.698 -178.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.0 p -63.98 -35.86 74.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 71.44 111.084 -177.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -65.96 -40.27 91.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.64 -0.504 . . . . 75.32 109.64 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 11.5 mm100 -56.48 -50.6 71.29 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.676 -0.693 . . . . 74.51 112.566 -170.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.28 -36.94 17.62 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.298 -0.41 . . . . 71.43 111.724 -174.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.5 mt -64.58 -44.49 90.49 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 111.9 0.333 . . . . 54.32 111.9 -178.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -21.64 63.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.069 0.461 . . . . 73.13 110.215 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -72.46 -45.61 58.75 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.797 -0.638 . . . . 74.25 110.28 175.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -66.82 -22.04 66.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.472 -0.785 . . . . 72.53 109.917 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.535 ' HA3' ' HD3' ' A' ' 96' ' ' LYS . . . 105.36 37.11 2.71 Favored Glycine 0 N--CA 1.438 -1.169 0 CA-C-N 115.395 -0.82 . . . . 55.21 112.339 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.6 t -109.95 138.64 46.04 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.427 -0.509 . . . . 73.44 110.07 173.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.423 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.1 OUTLIER -122.49 -0.18 9.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.062 0.458 . . . . 73.33 110.338 172.47 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.554 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 24.3 t70 -105.69 84.13 2.03 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.861 -0.608 . . . . 63.03 111.4 -171.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -166.4 150.55 7.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.279 -0.873 . . . . 74.04 110.644 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.56 177.84 43.5 Favored Glycine 0 C--O 1.228 -0.24 0 C-N-CA 121.202 -0.523 . . . . 54.02 112.145 -179.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.8 p -105.79 152.68 22.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.88 0.34 . . . . 72.35 111.344 -178.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.704 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 20.5 ptmt -134.92 154.76 51.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.859 0.361 . . . . 70.43 110.466 175.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.5 p -139.6 88.94 2.29 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.283 0.563 . . . . 74.44 109.985 173.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.5 p -96.18 135.89 28.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.86 -0.609 . . . . 75.22 109.915 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.3 mt -87.44 130.5 37.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.195 0.521 . . . . 75.3 110.889 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -111.25 100.53 9.15 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.348 -0.842 . . . . 53.42 109.413 175.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.675 ' HG3' HG22 ' A' ' 40' ' ' THR . 0.3 OUTLIER -83.26 121.03 26.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.686 -0.688 . . . . 71.22 110.672 -176.82 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.4 t -95.48 152.98 3.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.74 -0.664 . . . . 74.43 110.052 -175.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 3.4 tppp? 70.82 21.22 5.23 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.723 0.773 . . . . 63.11 109.78 -177.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.8 t -87.05 99.65 12.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.753 -0.658 . . . . 74.13 110.109 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.4 m -122.94 -17.27 6.81 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.065 -0.516 . . . . 73.21 110.775 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -118.48 166.27 12.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.356 -0.384 . . . . 73.22 110.259 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -130.36 126.29 36.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.697 0.284 . . . . 75.41 110.53 178.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.524 HG22 ' CD2' ' A' ' 38' ' ' LEU . 9.9 t -120.42 -170.42 1.98 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.526 -0.546 . . . . 75.33 109.526 177.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -80.46 72.61 7.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.768 0.655 . . . . 72.13 112.768 -168.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.524 ' CD2' HG22 ' A' ' 36' ' ' THR . 2.6 pt? 179.43 -159.39 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 123.181 0.592 . . . . 73.42 109.539 170.061 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -46.67 -56.07 6.72 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.593 0.558 . . . . 75.21 110.919 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.675 HG22 ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -145.3 -81.65 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.211 0.529 . . . . 74.42 110.649 -179.282 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.441 ' H ' ' HB ' ' A' ' 40' ' ' THR . 29.7 tt0 -155.4 96.99 1.85 Allowed 'General case' 0 N--CA 1.421 -1.921 0 N-CA-C 107.753 -1.202 . . . . 73.03 107.753 -177.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.3 tp -38.35 127.03 1.4 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.735 -1.121 . . . . 75.33 112.729 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.1 m170 69.17 26.32 5.52 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.153 -0.931 . . . . 72.11 112.376 174.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' A' ' 29' ' ' GLU . 48.4 tp -77.66 158.73 29.59 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.493 -0.558 . . . . 73.12 109.493 175.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.0 m -72.08 101.63 2.8 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.252 0.548 . . . . 74.42 109.983 177.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -118.18 156.14 29.26 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.794 -0.639 . . . . 73.41 110.301 -175.705 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -122.47 142.42 50.59 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.735 -0.666 . . . . 73.24 110.324 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -83.12 103.55 12.63 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.803 -0.635 . . . . 75.42 110.019 175.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.77 78.31 1.92 Allowed Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.821 -0.627 . . . . 74.21 111.876 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.457 ' C ' ' HG ' ' A' ' 51' ' ' SER . 7.0 m-85 -69.5 140.89 54.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.581 0.229 . . . . 63.54 110.403 178.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.534 ' HB2' ' CG ' ' A' ' 24' ' ' LYS . 5.0 m -155.28 158.73 39.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.845 0.355 . . . . 62.54 110.81 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.587 ' CG ' HD21 ' A' ' 78' ' ' LEU . 42.8 t80 -116.53 126.61 53.58 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.721 -0.474 . . . . 71.52 109.721 174.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.704 ' CE2' ' HD2' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -92.37 142.82 27.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.168 -0.924 . . . . 74.13 111.957 -176.35 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.497 ' HB3' HG21 ' A' ' 59' ' ' VAL . 12.4 tpt180 -147.87 107.18 3.9 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.949 -1.023 . . . . 74.34 109.553 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.554 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 5.0 m-70 59.32 27.03 16.0 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 111.905 0.335 . . . . 73.15 111.905 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.8 -1.6 85.38 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.228 -0.987 . . . . 73.53 112.418 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -105.23 174.0 6.06 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.353 -0.61 . . . . 74.44 109.353 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.527 HD12 ' HB3' ' A' ' 51' ' ' SER . 14.2 mm -109.11 125.63 66.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 116.071 -0.513 . . . . 73.42 110.393 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.497 HG21 ' HB3' ' A' ' 54' ' ' ARG . 75.2 t -101.38 -45.06 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.957 -0.565 . . . . 74.14 110.009 175.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.67 140.74 48.91 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.098 -0.501 . . . . 74.34 110.478 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -144.68 135.5 24.81 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.596 -0.52 . . . . 73.22 109.596 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.418 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -156.6 97.33 0.16 Allowed Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 111.497 -0.641 . . . . 64.22 111.497 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -97.65 124.7 42.04 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.565 0.221 . . . . 62.32 110.695 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.0 t -148.73 162.72 39.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.25 -0.432 . . . . 63.23 110.077 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -73.33 -14.95 61.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.011 0.434 . . . . 63.04 110.212 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HE2' ' HB2' ' A' ' 66' ' ' LYS . 22.9 ttmm -114.37 129.61 56.65 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.044 -0.525 . . . . 72.32 110.481 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.497 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 4.2 p -55.41 -46.99 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 115.882 -0.599 . . . . 74.34 111.233 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.73 97.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 75.01 111.868 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 72' ' ' TYR . 65.9 t30 -70.51 -48.91 53.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.959 0.409 . . . . 62.5 110.281 -178.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.522 ' HA ' HD13 ' A' ' 73' ' ' ILE . . . -54.28 -46.76 72.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.438 -0.801 . . . . 73.15 110.81 177.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.502 ' HG2' ' HE2' ' A' ' 75' ' ' LYS . 15.2 ttpt -63.64 -40.65 97.41 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.475 -1.238 . . . . 72.04 110.292 -179.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.461 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 34.8 t80 -55.6 -48.81 74.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.712 -0.676 . . . . 75.04 110.393 175.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.556 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 54.0 mt -56.38 -56.08 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.383 -0.826 . . . . 71.42 111.567 -177.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.476 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.9 ptt? -60.96 -39.96 91.51 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.624 -0.262 . . . . 75.13 110.936 -178.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.555 ' O ' HG13 ' A' ' 5' ' ' ILE . 49.6 mttm -60.56 -45.9 92.22 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.865 0.364 . . . . 73.22 110.705 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 15.4 mm100 -60.99 -24.18 65.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.061 -0.518 . . . . 74.13 111.006 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 10.1 mmt180 -66.46 -64.66 0.81 Allowed 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.279 -0.419 . . . . 70.43 111.037 -178.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.679 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -62.12 -34.09 75.69 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 119.891 -0.724 . . . . 71.34 110.084 179.209 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.582 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 10.2 tp -52.74 -58.89 5.38 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.156 0.503 . . . . 73.41 110.677 177.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -58.98 -28.98 66.85 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.636 -0.711 . . . . 74.32 110.336 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 91.8 mt -70.94 -39.74 72.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.479 -0.328 . . . . 74.25 110.938 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 79' ' ' LEU . 1.3 pp -81.13 -21.98 39.41 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.698 0.285 . . . . 75.44 111.142 178.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -79.55 -38.02 35.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.152 0.501 . . . . 51.34 110.739 173.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -88.32 -18.64 28.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.851 -0.613 . . . . 72.41 110.197 -176.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.485 ' HZ1' ' HB3' ' A' ' 85' ' ' LYS . 3.1 mmmp? 65.03 37.53 6.73 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.359 -0.837 . . . . 75.12 110.276 -177.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.8 m -76.45 146.19 38.75 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.242 -0.89 . . . . 64.12 110.131 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 3.3 p-10 -75.62 -1.56 25.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.007 0.373 . . . . 72.24 112.007 -173.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -65.62 -38.86 90.61 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.706 0.262 . . . . 60.31 111.706 -175.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.679 HD23 ' HB3' ' A' ' 78' ' ' LEU . 9.7 tp -110.13 -17.62 13.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.47 0.652 . . . . 62.43 110.678 178.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 82' ' ' LEU . 13.9 mt -108.92 15.52 23.38 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 112.711 0.634 . . . . 72.34 112.711 -170.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.455 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 31.9 p90 -67.54 156.83 35.77 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.937 0.398 . . . . 73.11 110.618 178.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.6 m -83.92 139.05 32.85 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.019 -0.537 . . . . 71.25 110.101 177.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.9 p -132.84 177.23 7.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.036 -0.529 . . . . 64.23 109.771 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 97' ' ' PHE . 3.8 t-20 -109.83 68.95 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.927 0.343 . . . . 71.22 111.927 -178.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.533 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 68.3 m -98.15 -2.55 39.66 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 119.904 -0.719 . . . . 75.31 111.095 167.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.535 ' HD3' ' HA3' ' A' ' 17' ' ' GLY . 21.8 ptmt -153.53 -46.09 0.09 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.285 0.564 . . . . 71.21 110.149 177.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.441 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 30.2 p90 -152.0 -176.67 5.75 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.163 -1.421 . . . . 75.52 107.163 173.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.8 p -179.62 169.76 1.33 Allowed 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 121.181 0.515 . . . . 61.43 111.049 172.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.452 ' HE3' ' HB2' ' A' ' 99' ' ' LYS . 20.9 mtmt -98.45 81.64 2.76 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.948 -1.024 . . . . 74.31 109.53 -178.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -90.66 -45.34 8.94 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.066 -0.97 . . . . 64.51 110.109 -175.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.484 ' HD2' ' HA ' ' A' ' 101' ' ' LYS . 35.4 tptt . . . . . 0 N--CA 1.439 -1.003 0 CA-C-O 118.426 -0.797 . . . . 75.22 110.139 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ttt . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.779 0.323 . . . . 72.23 110.84 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.649 ' HE3' HD12 ' A' ' 79' ' ' LEU . 16.4 tppt? -83.33 -41.13 18.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 74.15 110.308 -177.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 127.64 -153.76 19.38 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.595 -0.812 . . . . 70.13 112.095 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -87.99 113.39 23.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.903 0.383 . . . . 73.32 110.726 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.518 HG23 ' HA ' ' A' ' 75' ' ' LYS . 6.7 tp -67.52 -26.18 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.946 -0.57 . . . . 74.23 109.685 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.63 -40.55 95.25 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.277 -0.874 . . . . 75.41 109.525 -178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.67 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 28.1 m80 -60.86 -49.9 75.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.944 -0.571 . . . . 73.11 110.185 174.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -58.57 -50.6 73.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 74.32 111.233 -175.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.556 HG23 ' CZ ' ' A' ' 52' ' ' PHE . 7.2 p -63.1 -39.48 85.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.131 -0.486 . . . . 72.52 111.575 -176.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -69.33 -32.76 72.07 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.408 -0.517 . . . . 72.42 109.756 178.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.67 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 26.6 mm-40 -57.75 -49.34 76.89 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.957 -0.565 . . . . 75.03 111.942 -175.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.501 HD11 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -89.22 -43.18 11.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.267 -0.424 . . . . 74.24 111.8 -175.808 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.501 ' H ' HD11 ' A' ' 12' ' ' LEU . 17.4 mt -60.27 -45.4 93.43 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.604 0.594 . . . . 75.53 112.604 -176.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.572 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 17.3 pttp -69.33 -24.47 63.92 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.663 -0.415 . . . . 73.53 110.19 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -75.47 -34.4 60.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.749 -0.66 . . . . 72.02 110.139 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 12.1 mt-30 -72.38 -9.73 58.89 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.481 -0.781 . . . . 74.32 110.511 177.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.48 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 95.95 27.7 10.04 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.658 -0.782 . . . . 72.24 111.951 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.572 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 5.8 t -107.88 140.33 41.16 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.573 -0.451 . . . . 75.54 110.127 174.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -126.47 -4.7 6.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.889 0.376 . . . . 70.32 111.118 173.462 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.412 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 18.8 t70 -97.79 85.85 3.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.131 0.491 . . . . 54.14 111.014 -174.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -169.22 172.98 6.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.352 -0.84 . . . . 71.54 110.344 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.31 164.4 14.58 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.026 -0.607 . . . . 73.51 112.004 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.6 p -94.89 136.82 34.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.888 0.344 . . . . 75.33 111.215 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.58 ' HZ3' ' HE2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -112.03 145.94 38.8 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 109.081 -0.711 . . . . 72.35 109.081 175.325 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.9 p -141.82 69.21 1.32 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.496 0.665 . . . . 73.21 109.965 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -89.44 125.53 42.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.476 -0.784 . . . . 72.45 109.974 -178.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.4 mt -68.64 125.34 26.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.277 0.561 . . . . 72.0 110.345 176.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -114.1 104.37 12.06 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.409 -0.814 . . . . 75.04 109.146 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.464 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -82.8 115.96 21.93 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.211 -0.904 . . . . 72.43 110.533 -176.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.2 t -82.84 125.88 40.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 N-CA-C 108.911 -0.774 . . . . 71.44 108.911 177.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -61.32 104.91 0.44 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.146 0.498 . . . . 74.22 109.998 -174.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.7 t -80.94 141.7 34.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.336 -0.847 . . . . 71.21 110.683 -174.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.3 t -63.5 -31.76 73.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.785 -0.643 . . . . 65.43 109.959 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -85.96 106.75 17.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.692 -0.685 . . . . 74.24 109.561 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.694 ' HE3' ' HG3' ' A' ' 41' ' ' GLU . 21.6 ptmt -146.8 155.61 42.49 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.896 0.379 . . . . 73.14 111.039 -177.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.487 HG22 HD21 ' A' ' 38' ' ' LEU . 6.5 t -102.02 175.2 5.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.983 -0.553 . . . . 72.0 109.536 175.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.723 ' H ' HD22 ' A' ' 37' ' ' LEU . 1.5 pt? -95.51 107.92 20.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.387 0.613 . . . . 75.2 111.902 -173.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.774 HD12 ' HB2' ' A' ' 42' ' ' LEU . 1.8 pt? -168.16 -166.47 0.71 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.257 -0.883 . . . . 72.24 108.78 172.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -50.42 -71.11 0.07 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.402 0.62 . . . . 74.34 111.281 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.9 p -104.3 -160.11 0.75 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.531 -0.759 . . . . 75.54 109.637 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.694 ' HG3' ' HE3' ' A' ' 35' ' ' LYS . 4.8 mp0 -97.11 94.75 7.32 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 108.314 -0.995 . . . . 75.23 108.314 170.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.774 ' HB2' HD12 ' A' ' 38' ' ' LEU . 2.1 tm? -45.97 -49.65 15.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.366 -0.834 . . . . 74.33 110.67 -177.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -128.02 120.88 28.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.775 -0.648 . . . . 72.54 109.961 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.467 HD13 ' HB2' ' A' ' 41' ' ' GLU . 2.4 pt? -153.03 -176.96 6.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.001 0.429 . . . . 70.23 110.768 -178.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.3 m -79.39 108.57 13.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.646 -0.706 . . . . 72.13 110.294 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -116.9 153.97 31.62 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.246 -0.434 . . . . 75.52 110.374 -177.594 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -126.9 142.78 51.46 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.949 -0.569 . . . . 71.32 110.627 -178.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.417 ' CE2' ' HB ' ' A' ' 67' ' ' VAL . 4.1 m-30 -83.56 104.17 13.47 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.967 -0.753 . . . . 73.42 108.967 173.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.35 76.81 1.78 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.743 -0.741 . . . . 63.21 111.876 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.584 ' CE2' HG23 ' A' ' 67' ' ' VAL . 4.4 m-85 -78.43 136.57 37.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.878 0.37 . . . . 65.42 110.337 177.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.571 ' OG ' HD11 ' A' ' 58' ' ' ILE . 31.8 t -164.02 153.87 14.6 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.141 -0.481 . . . . 63.3 110.111 -178.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.626 ' CG ' HD23 ' A' ' 78' ' ' LEU . 49.4 t80 -111.12 125.83 54.2 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.587 -0.278 . . . . 62.45 110.425 176.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.58 ' HE2' ' HZ3' ' A' ' 24' ' ' LYS . 9.2 m-85 -103.54 136.19 43.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.175 -0.921 . . . . 72.43 111.288 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -139.53 116.46 10.96 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.707 -0.849 . . . . 75.04 108.707 167.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.412 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 14.0 m-70 60.82 26.96 16.78 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.864 0.364 . . . . 50.44 111.498 -178.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.97 2.66 90.62 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.506 -0.855 . . . . 73.35 112.566 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -93.88 166.03 12.38 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 109.667 -0.494 . . . . 73.3 109.667 176.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.571 HD11 ' OG ' ' A' ' 51' ' ' SER . 32.2 mm -109.46 108.53 25.58 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-N 115.467 -0.788 . . . . 71.22 110.263 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.521 HG13 HD13 ' A' ' 89' ' ' LEU . 88.5 t -88.92 -35.1 7.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 CA-C-N 114.919 -1.037 . . . . 74.44 109.704 178.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -138.01 145.2 41.57 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.892 -0.595 . . . . 75.2 110.745 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -149.16 128.09 12.64 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.9 -0.407 . . . . 74.41 109.9 175.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.444 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -148.56 105.99 0.32 Allowed Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.79 -0.641 . . . . 70.55 111.601 179.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -106.56 123.91 48.81 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.171 0.51 . . . . 73.43 110.955 -177.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.3 m -151.32 166.21 31.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.056 -0.52 . . . . 71.31 110.296 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -35.62 73.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.454 0.645 . . . . 74.11 109.571 178.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -100.34 131.1 46.46 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.931 -1.032 . . . . 74.21 110.055 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.584 HG23 ' CE2' ' A' ' 50' ' ' PHE . 2.5 p -56.1 -41.8 70.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.821 -0.627 . . . . 74.04 111.478 -178.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.02 86.1 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.063 0.394 . . . . 74.22 112.063 -178.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.33 -46.11 35.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.968 0.413 . . . . 74.21 110.035 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.39 -47.56 78.69 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.486 -0.779 . . . . 73.11 111.037 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' HE2' HG21 ' A' ' 67' ' ' VAL . 48.4 mtmt -58.45 -46.32 86.8 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 116.082 -0.508 . . . . 75.13 110.601 176.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.403 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 27.5 t80 -52.12 -48.17 64.96 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.372 -0.831 . . . . 74.21 111.441 -175.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.444 ' HB ' ' HA3' ' A' ' 62' ' ' GLY . 33.3 mt -59.06 -52.68 57.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.613 -0.721 . . . . 75.53 111.257 -177.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.464 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.7 ptt? -66.37 -39.64 89.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 72.54 110.967 -177.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.518 ' HA ' HG23 ' A' ' 5' ' ' ILE . 54.7 mttm -57.4 -45.07 84.92 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 120.556 0.217 . . . . 74.11 110.983 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 86.7 mm-40 -59.54 -32.16 70.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 75.42 111.314 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 77' ' ' ARG . 18.6 mmm-85 -60.63 -67.26 0.41 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.974 -0.557 . . . . 74.54 111.552 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.798 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -62.81 -35.1 78.79 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.328 -0.549 . . . . 64.01 110.452 -178.802 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.649 HD12 ' HE3' ' A' ' 2' ' ' LYS . 13.2 tp -49.8 -60.01 3.3 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.14 0.495 . . . . 75.44 110.94 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -60.29 -26.53 66.58 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.49 -0.777 . . . . 73.23 111.02 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 96.2 mt -72.39 -38.22 68.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.292 -0.413 . . . . 70.13 110.786 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 79' ' ' LEU . 2.5 pp -85.36 -25.73 26.91 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 121.079 -0.248 . . . . 74.34 111.078 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -67.84 -49.21 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.188 0.518 . . . . 75.53 110.219 173.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -86.75 -13.81 44.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.585 -0.734 . . . . 63.43 110.594 -176.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm 64.82 48.13 2.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.417 -0.81 . . . . 74.32 110.344 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.7 m -87.43 134.43 33.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.995 -1.002 . . . . 74.01 110.142 175.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 8.9 p30 -70.28 0.71 5.9 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.853 0.686 . . . . 74.52 112.853 -171.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.424 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.4 mm? -62.47 -35.66 80.02 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.886 -0.325 . . . . 62.24 111.215 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.798 HD22 ' HB3' ' A' ' 78' ' ' LEU . 17.5 tp -107.14 -16.06 14.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.262 0.554 . . . . 71.45 110.387 175.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 82' ' ' LEU . 13.8 mt -114.64 18.05 16.88 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.558 -0.747 . . . . 74.44 112.666 -168.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.431 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 41.0 p90 -68.55 167.14 15.57 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.308 0.575 . . . . 72.14 111.772 -176.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.4 m -91.21 132.5 36.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.54 -0.754 . . . . 64.21 110.866 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.7 p -133.66 174.74 10.11 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.545 -0.752 . . . . 61.31 109.758 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.54 ' HA ' ' O ' ' A' ' 97' ' ' PHE . 51.0 t-20 -111.61 73.01 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.071 0.232 . . . . 72.42 111.371 178.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 58.9 m -92.65 -1.19 57.07 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 119.998 -0.681 . . . . 64.44 110.572 167.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.446 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 21.2 ptmt -156.25 -34.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.75 -0.659 . . . . 73.14 110.114 178.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.54 ' O ' ' HA ' ' A' ' 94' ' ' ASN . 21.5 p90 -167.59 176.22 6.6 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.243 -1.021 . . . . 71.01 108.243 173.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.1 p -169.61 152.42 4.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.707 0.289 . . . . 74.41 110.774 171.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp 58.82 33.14 22.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.487 -0.779 . . . . 74.42 111.475 176.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.607 ' O ' ' HD2' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -60.4 -45.46 93.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.022 -0.536 . . . . 72.5 109.767 176.496 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.607 ' HD2' ' O ' ' A' ' 100' ' ' LYS . 2.2 mptp? . . . . . 0 C--O 1.247 0.925 0 N-CA-C 108.929 -0.767 . . . . 75.31 108.929 174.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.535 ' HE2' ' HE3' ' A' ' 75' ' ' LYS . 24.0 ptp . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.725 0.297 . . . . 75.13 110.344 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -136.26 125.92 25.45 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.226 -0.443 . . . . 65.55 109.817 175.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.56 80.4 0.73 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.744 -0.741 . . . . 42.32 111.541 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.47 ' OD2' ' HB2' ' A' ' 6' ' ' GLU . 28.6 t70 -57.28 134.86 56.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.465 0.65 . . . . 63.52 111.833 -177.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.674 HG22 ' OE1' ' A' ' 6' ' ' GLU . 0.5 OUTLIER -71.0 -28.98 35.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.111 -0.949 . . . . 74.13 111.652 -173.81 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.674 ' OE1' HG22 ' A' ' 5' ' ' ILE . 1.2 mp0 -65.56 -31.2 72.12 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.456 -0.572 . . . . 73.32 109.456 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.706 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 55.2 m80 -63.34 -47.8 80.66 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.748 -0.66 . . . . 73.45 109.84 173.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.509 ' HG2' ' HA ' ' A' ' 5' ' ' ILE . 60.4 mmtt -59.17 -49.69 76.88 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.039 -0.528 . . . . 73.15 111.394 -176.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.429 HG12 ' HA ' ' A' ' 6' ' ' GLU . 7.8 p -63.92 -34.08 66.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.956 -0.566 . . . . 73.03 111.292 -176.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.487 ' CD1' ' HE1' ' A' ' 21' ' ' PHE . 13.4 m-30 -71.99 -32.1 66.9 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.928 -0.397 . . . . 75.04 109.928 177.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.706 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 28.7 mm-40 -59.13 -51.29 70.64 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.032 -0.531 . . . . 71.0 111.837 -174.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.518 HD11 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -90.42 -40.14 12.23 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.964 -0.562 . . . . 73.12 112.122 -173.095 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 89' ' ' LEU . 19.6 mt -63.6 -44.2 94.7 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.256 0.465 . . . . 72.51 112.256 -176.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.593 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 49.2 pttt -67.25 -19.98 65.6 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.715 -0.394 . . . . 74.34 110.086 179.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -76.81 -45.07 30.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 75.43 110.258 176.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -64.43 -20.02 65.89 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.477 -0.783 . . . . 73.33 110.847 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.591 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 109.56 35.47 2.25 Favored Glycine 0 N--CA 1.438 -1.182 0 C-N-CA 120.653 -0.784 . . . . 64.2 111.939 -179.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.593 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.6 t -121.62 138.35 54.36 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.739 -0.384 . . . . 73.01 110.671 174.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.401 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.1 OUTLIER -124.85 -8.98 7.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.103 0.478 . . . . 74.54 109.898 167.666 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.612 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 18.1 t0 -87.34 81.43 7.89 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.605 0.717 . . . . 74.22 111.356 -177.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.487 ' HE1' ' CD1' ' A' ' 10' ' ' TYR . 13.2 p90 -164.29 154.87 14.99 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.733 -1.121 . . . . 74.21 109.903 175.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.95 -176.75 45.35 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.673 -0.775 . . . . 73.24 111.962 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.2 p -107.86 151.3 25.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.805 0.302 . . . . 74.34 111.257 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.786 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 17.2 ptmt -132.94 160.96 35.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.994 0.426 . . . . 72.42 110.584 175.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.1 t -137.64 81.73 1.88 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.835 -0.621 . . . . 71.22 109.452 173.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.548 ' HB ' ' HE2' ' A' ' 24' ' ' LYS . 6.2 p -85.99 115.29 27.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.145 0.497 . . . . 73.52 110.053 -178.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.3 mt -72.41 126.73 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-O 121.335 0.588 . . . . 60.52 110.638 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.527 ' HB2' ' HE2' ' A' ' 63' ' ' LYS . 42.3 mt-10 -120.16 105.82 11.35 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.131 -0.94 . . . . 75.31 109.115 176.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.805 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -86.01 130.29 34.58 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.41 -0.814 . . . . 64.34 110.368 -177.291 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 81.4 t -86.45 101.11 10.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.102 -0.499 . . . . 64.22 109.936 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -70.51 101.57 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.261 -0.644 . . . . 75.21 109.261 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -90.83 75.09 6.5 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.977 0.417 . . . . 43.4 111.838 -173.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.0 m 55.14 23.89 5.72 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.387 -0.824 . . . . 72.41 113.154 169.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.652 ' CD2' ' HG ' ' A' ' 37' ' ' LEU . 10.1 t60 49.58 53.3 12.96 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.453 0.644 . . . . 61.31 109.499 -174.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -62.5 -37.47 86.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.598 -0.728 . . . . 65.34 111.688 -176.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.1 t -104.52 112.57 25.69 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.373 0.606 . . . . 73.45 110.618 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.652 ' HG ' ' CD2' ' A' ' 34' ' ' HIS . 5.4 mp -98.68 108.71 21.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.628 -0.714 . . . . 72.25 109.266 177.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.502 HD12 ' HB2' ' A' ' 42' ' ' LEU . 1.3 pt? -135.72 -66.46 0.56 Allowed 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.819 -0.352 . . . . 61.3 111.442 -177.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.463 ' H ' ' HG ' ' A' ' 38' ' ' LEU . 3.2 t-20 -173.82 -73.08 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.453 -0.943 . . . . 64.05 108.453 -178.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.7 p -105.32 151.92 23.57 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.178 -1.045 . . . . 61.43 108.178 168.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -57.94 94.33 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.898 -0.408 . . . . 73.24 109.898 175.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.502 ' HB2' HD12 ' A' ' 38' ' ' LEU . 1.6 tt -33.73 -75.75 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 O-C-N 124.423 1.077 . . . . 73.01 111.323 -178.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.41 ' H ' ' HB3' ' A' ' 42' ' ' LEU . 56.1 m-70 -147.99 97.67 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.821 -0.807 . . . . 74.15 108.821 172.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.4 tp -72.92 142.17 47.87 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.425 -0.352 . . . . 71.13 110.148 -177.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 m -67.69 98.69 0.72 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.247 0.546 . . . . 61.5 110.234 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.805 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.18 154.27 19.96 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.779 -0.646 . . . . 71.51 110.177 -177.072 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -127.31 143.18 51.28 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.148 0.499 . . . . 74.05 110.623 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 17.9 m-30 -77.08 106.88 9.06 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.268 -0.878 . . . . 75.35 110.173 178.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.4 72.31 2.83 Favored Glycine 0 N--CA 1.441 -0.984 0 C-N-CA 120.627 -0.796 . . . . 73.22 111.187 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.46 ' C ' ' HG ' ' A' ' 51' ' ' SER . 3.5 m-85 -64.29 134.98 55.76 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.607 -0.516 . . . . 75.52 109.607 177.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.509 ' HB3' HD12 ' A' ' 58' ' ' ILE . 6.2 m -152.01 161.54 42.48 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 120.777 0.322 . . . . 63.22 110.231 -178.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.541 ' CG ' HD23 ' A' ' 78' ' ' LEU . 34.0 t80 -117.22 127.37 54.03 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.273 -0.421 . . . . 74.4 110.023 175.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.786 ' CE2' ' HD2' ' A' ' 24' ' ' LYS . 0.8 OUTLIER -94.1 140.99 29.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.839 -1.073 . . . . 73.31 112.037 -176.663 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.446 ' HB3' HG21 ' A' ' 59' ' ' VAL . 16.4 tpt180 -146.16 106.21 4.01 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.982 -1.008 . . . . 63.21 109.295 177.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.612 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 7.9 m-70 59.41 28.51 17.89 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 111.973 0.36 . . . . 73.14 111.973 -178.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.58 1.34 85.67 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.414 -0.898 . . . . 54.02 112.464 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -102.72 172.78 6.65 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.416 -0.587 . . . . 63.42 109.416 176.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.509 HD12 ' HB3' ' A' ' 51' ' ' SER . 13.0 mm -112.65 113.57 44.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-N 116.001 -0.545 . . . . 75.53 110.292 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.514 HG13 HD13 ' A' ' 89' ' ' LEU . 78.7 t -91.45 -37.11 8.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.752 -0.658 . . . . 74.24 110.397 178.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -127.34 144.92 50.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.141 -0.481 . . . . 74.54 110.729 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.565 ' OH ' ' HE3' ' A' ' 63' ' ' LYS . 68.2 t80 -146.5 135.51 22.52 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.429 0.456 . . . . 71.3 110.165 177.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.3 107.74 0.34 Allowed Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.641 -0.583 . . . . 72.44 111.641 178.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.565 ' HE3' ' OH ' ' A' ' 61' ' ' TYR . 36.8 ttmt -101.05 126.17 47.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.844 0.354 . . . . 73.34 111.027 -178.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.505 ' HB2' ' HB1' ' A' ' 70' ' ' ALA . 62.2 m -156.03 161.15 40.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.937 -0.574 . . . . 71.33 110.04 176.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -87.36 -13.28 43.91 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.804 -0.813 . . . . 71.13 108.804 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HB2' ' CB ' ' A' ' 69' ' ' ASN . 33.7 mmtp -92.01 116.96 29.37 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.91 -1.041 . . . . 75.15 108.43 171.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.633 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 14.9 p -57.09 -39.72 68.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.75 0.309 . . . . 71.53 110.579 -178.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.15 -39.0 75.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.473 -0.331 . . . . 72.4 111.199 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.411 ' CB ' ' HB2' ' A' ' 66' ' ' LYS . 6.2 t30 -68.3 -43.21 78.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.979 0.419 . . . . 73.42 109.917 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' A' ' 64' ' ' SER . . . -59.99 -50.09 75.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.604 -0.725 . . . . 72.31 111.265 178.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' A' ' 67' ' ' VAL . 46.5 mtmt -59.54 -40.58 87.7 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.118 -0.492 . . . . 73.41 110.163 177.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -55.94 -49.39 73.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.367 -0.833 . . . . 74.45 110.679 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 41.7 mt -58.0 -53.73 41.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.652 -0.703 . . . . 73.1 111.407 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 3.0 ptt? -63.53 -39.22 93.84 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.836 -0.346 . . . . 75.03 110.743 -177.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.54 ' HA ' HG23 ' A' ' 5' ' ' ILE . 59.6 mttm -60.37 -44.31 95.74 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.527 0.203 . . . . 72.53 110.845 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -64.73 -21.66 66.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.513 -0.312 . . . . 73.12 111.328 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 37.6 mmt180 -64.84 -63.86 1.01 Allowed 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.685 -0.234 . . . . 75.2 110.547 177.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.848 ' HB3' HD21 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -63.59 -33.62 76.02 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 120.365 -0.534 . . . . 75.3 110.234 178.863 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -50.57 -53.4 30.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.779 -0.646 . . . . 72.04 110.235 178.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -66.56 -27.99 68.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.456 -0.338 . . . . 73.11 111.237 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 91.3 mt -72.29 -41.05 67.08 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 121.193 -0.203 . . . . 71.14 111.113 -178.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.486 HD23 HD11 ' A' ' 5' ' ' ILE . 1.8 pp -79.11 -18.52 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.067 0.46 . . . . 73.15 110.994 178.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -79.75 -50.07 11.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.074 -0.512 . . . . 73.42 110.556 174.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -85.27 -13.07 50.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.604 -0.726 . . . . 73.31 110.434 -174.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm 67.61 40.21 2.59 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.359 -0.837 . . . . 74.21 111.442 177.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.9 m -81.0 140.42 35.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.544 -0.753 . . . . 42.11 109.777 177.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -68.33 -9.96 51.52 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.339 0.496 . . . . 75.02 112.339 -172.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.438 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -56.13 -38.18 70.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 111.977 0.362 . . . . 75.22 111.977 -175.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.848 HD21 ' HB3' ' A' ' 78' ' ' LEU . 27.2 tp -110.89 -13.12 14.18 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.435 0.636 . . . . 75.33 110.825 177.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.6 mt -112.84 13.18 19.64 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 113.008 0.744 . . . . 72.33 113.008 -169.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -67.72 158.47 32.24 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.061 0.458 . . . . 74.14 110.79 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.0 t -90.98 145.98 24.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.769 -0.65 . . . . 71.41 109.7 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 98' ' ' SER . 19.5 p -142.49 178.66 7.45 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.685 -0.689 . . . . 70.33 109.346 -176.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -110.9 71.91 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.464 0.174 . . . . 71.42 111.064 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 24.3 m -91.11 -12.79 34.52 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 120.325 -0.55 . . . . 71.43 110.183 169.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.505 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 21.1 ptmt -149.67 -44.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.583 -0.735 . . . . 71.43 109.776 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.505 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 22.9 p90 -156.06 170.09 22.98 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.458 -0.941 . . . . 74.41 108.458 175.235 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.464 ' HB3' ' O ' ' A' ' 93' ' ' CYS . 54.2 p -176.6 -179.38 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.451 0.469 . . . . 71.03 110.796 173.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm 55.91 71.04 0.58 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.482 -0.781 . . . . 74.42 111.095 173.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.625 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 0.6 OUTLIER -96.03 159.13 15.12 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.131 -0.692 . . . . 71.44 109.131 -178.654 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.711 -0.661 . . . . 64.14 110.195 -175.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.658 0.266 . . . . 73.23 110.74 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -74.34 80.69 1.87 Allowed 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.056 0.455 . . . . 75.21 110.484 178.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.23 172.28 27.01 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.826 -0.624 . . . . 53.32 111.973 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -97.04 139.96 32.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.443 0.64 . . . . 64.15 110.295 176.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.548 HG23 ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -61.54 -30.72 48.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.847 -1.069 . . . . 74.41 111.751 -175.319 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -64.92 -41.87 95.18 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.702 -0.399 . . . . 63.23 110.252 -176.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -63.96 -34.65 78.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.141 -0.481 . . . . 75.34 109.845 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 59.2 mmtt -63.38 -50.37 70.16 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.775 -0.454 . . . . 72.35 109.775 177.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.701 HG12 ' CZ ' ' A' ' 52' ' ' PHE . 47.5 t -55.14 -41.81 62.02 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 CA-C-N 115.833 -0.621 . . . . 72.35 110.618 179.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.565 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 11.0 m-30 -62.78 -52.01 64.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.157 -0.474 . . . . 73.31 109.772 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.439 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 11.2 mm100 -49.48 -45.44 46.9 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 113.45 0.907 . . . . 61.5 113.45 -172.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.557 HD13 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -89.97 -43.98 10.19 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 112.111 0.411 . . . . 74.32 112.111 -175.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.557 ' H ' HD13 ' A' ' 12' ' ' LEU . 26.7 mt -65.01 -43.29 93.0 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.132 0.419 . . . . 65.34 112.132 -175.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.572 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 62.9 pttt -64.25 -23.65 67.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.276 0.56 . . . . 63.21 110.108 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -79.77 -41.8 25.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.564 -0.743 . . . . 73.34 110.808 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.422 HE22 ' HB3' ' A' ' 90' ' ' LEU . 6.3 mt-30 -65.2 -34.52 78.57 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.552 0.691 . . . . 73.42 109.842 179.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.576 ' HA2' ' HD3' ' A' ' 96' ' ' LYS . . . 126.37 39.9 0.39 Allowed Glycine 0 N--CA 1.435 -1.381 0 CA-C-N 115.084 -0.962 . . . . 71.4 112.05 -178.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.572 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.8 t -125.96 139.18 53.65 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.28 -0.568 . . . . 64.51 111.073 172.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -124.17 -6.63 7.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.512 0.672 . . . . 75.52 109.553 168.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.585 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 25.4 t70 -92.4 81.01 4.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.443 -0.799 . . . . 71.23 110.959 -174.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.556 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 18.3 p90 -166.65 160.03 14.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.265 -0.88 . . . . 75.31 110.65 177.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.44 167.53 32.6 Favored Glycine 0 CA--C 1.517 0.211 0 N-CA-C 111.71 -0.556 . . . . 42.14 111.71 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.5 p -94.01 151.02 19.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 117.057 0.429 . . . . 73.22 111.431 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.553 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -132.31 142.75 49.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.872 -0.604 . . . . 75.52 109.814 173.365 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.8 p -131.97 85.06 2.21 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.304 0.573 . . . . 73.43 110.28 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.542 HG13 ' HZ1' ' A' ' 24' ' ' LYS . 9.7 p -100.68 145.39 11.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.911 -0.774 . . . . 71.3 108.911 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.0 mt -83.32 127.2 39.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-O 121.326 0.584 . . . . 75.14 111.451 -177.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -118.97 101.79 8.29 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.127 -0.942 . . . . 74.33 108.822 174.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.823 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -88.99 139.22 30.67 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.049 -0.523 . . . . 74.3 111.181 -174.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.6 t -98.53 137.54 25.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.582 -0.735 . . . . 64.21 110.42 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.9 ' HA ' HD12 ' A' ' 44' ' ' LEU . 59.9 mmtt -76.7 80.84 3.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.915 0.388 . . . . 74.52 111.059 -175.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.9 m -80.54 -26.4 38.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.221 -0.445 . . . . 65.41 111.247 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 m -65.86 141.45 58.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.936 0.398 . . . . 70.44 111.207 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -81.61 -67.28 0.79 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.859 -0.609 . . . . 70.41 110.0 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HE3' ' HB2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -145.24 140.9 28.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.051 -0.522 . . . . 74.12 110.828 179.248 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.2 t -177.26 145.57 0.46 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.67 -0.695 . . . . 74.22 109.194 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -125.34 106.71 10.04 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.939 -0.393 . . . . 74.44 109.939 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -162.16 -166.67 1.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.47 -0.332 . . . . 71.3 110.674 178.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.459 ' ND2' HG22 ' A' ' 40' ' ' THR . 10.1 t30 -48.21 -66.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.399 -0.818 . . . . 75.14 111.898 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.459 HG22 ' ND2' ' A' ' 39' ' ' ASN . 1.9 p -113.39 -154.7 0.55 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.534 -0.543 . . . . 64.13 109.534 177.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' H ' ' HB ' ' A' ' 40' ' ' THR . 2.5 mp0 -90.24 30.45 1.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.136 -0.353 . . . . 74.23 110.174 172.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.2 tp 60.95 -86.88 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.849 -0.614 . . . . 70.21 111.06 -176.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -135.66 105.32 6.12 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.727 -0.842 . . . . 73.32 108.727 176.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.9 HD12 ' HA ' ' A' ' 31' ' ' LYS . 14.3 tp -99.57 136.9 38.83 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.34 -0.391 . . . . 73.44 110.395 -176.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.3 m -68.09 105.52 2.08 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.69 -0.485 . . . . 75.41 109.69 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.823 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.62 156.04 18.32 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.047 0.451 . . . . 61.21 111.14 -172.653 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -129.04 144.78 51.3 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.933 -0.576 . . . . 71.43 110.273 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.461 ' CE2' ' HB ' ' A' ' 67' ' ' VAL . 21.2 m-30 -80.54 110.09 15.68 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.818 -0.628 . . . . 64.53 110.097 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.5 72.34 2.85 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.916 -0.659 . . . . 72.43 111.852 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.542 ' HB3' ' SD ' ' A' ' 74' ' ' MET . 12.3 m-85 -69.31 134.52 49.2 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.106 -0.331 . . . . 73.5 110.106 175.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.538 ' HB2' ' HE3' ' A' ' 24' ' ' LYS . 1.9 m -154.19 161.14 42.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.785 0.326 . . . . 73.24 110.687 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.701 ' CZ ' HG12 ' A' ' 9' ' ' VAL . 32.0 t80 -116.67 123.79 48.14 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.147 -0.479 . . . . 74.51 110.111 173.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.553 ' CE1' ' HG2' ' A' ' 24' ' ' LYS . 5.3 m-85 -95.86 134.71 38.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.413 -0.812 . . . . 71.54 111.765 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.556 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -135.04 108.41 7.81 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.43 -0.804 . . . . 64.44 108.974 171.445 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.585 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 13.1 m-70 62.78 30.29 16.72 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.952 0.406 . . . . 73.24 111.845 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.92 -4.74 84.71 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.534 -0.841 . . . . 51.42 112.563 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -97.55 169.81 9.46 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.42 -0.585 . . . . 75.05 109.42 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.7 mm -105.73 118.57 53.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.398 0.618 . . . . 71.25 110.944 -178.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.511 HG12 ' HB2' ' A' ' 89' ' ' LEU . 84.7 t -94.76 -41.68 12.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.407 -0.815 . . . . 72.32 109.891 176.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.517 ' HB1' ' HG ' ' A' ' 78' ' ' LEU . . . -129.71 148.34 51.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.939 -0.573 . . . . 74.34 111.138 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -146.29 135.07 22.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.069 -0.514 . . . . 73.41 109.771 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -151.46 97.87 0.18 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.572 -0.611 . . . . 74.43 111.572 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 37.9 ttpt -98.55 123.93 43.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.698 0.285 . . . . 74.43 110.655 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.531 ' HB2' ' HB3' ' A' ' 70' ' ' ALA . 57.4 m -153.47 160.15 42.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.803 0.335 . . . . 74.13 110.769 178.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.443 ' HG3' ' HG2' ' A' ' 66' ' ' LYS . 6.9 ptp180 -78.11 -20.05 52.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.271 0.558 . . . . 73.13 109.587 176.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.573 ' HE2' ' HA ' ' A' ' 66' ' ' LYS . 9.8 mmpt? -102.56 122.78 45.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.47 -0.786 . . . . 74.24 108.988 175.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.517 HG23 ' CE2' ' A' ' 50' ' ' PHE . 3.9 p -55.81 -41.17 65.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 O-C-N 123.177 0.298 . . . . 73.3 111.262 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.9 97.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.322 -0.399 . . . . 74.4 111.116 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -68.87 -43.98 74.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 63.0 110.249 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' ' 64' ' ' SER . . . -59.07 -49.36 78.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.63 -0.714 . . . . 73.01 111.197 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 67' ' ' VAL . 49.1 mtmt -59.28 -42.7 91.89 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 115.982 -0.554 . . . . 72.25 110.12 177.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -55.5 -46.78 76.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.446 -0.797 . . . . 71.12 110.94 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.499 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 54.7 mt -60.37 -56.41 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.455 -0.793 . . . . 74.34 111.366 -177.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.542 ' SD ' ' HB3' ' A' ' 50' ' ' PHE . 3.4 ptt? -62.51 -39.81 94.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.315 -0.402 . . . . 75.0 110.898 -176.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.548 ' HA ' HG23 ' A' ' 5' ' ' ILE . 63.7 mttm -60.83 -45.87 92.79 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.51 0.195 . . . . 71.13 111.08 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -63.2 -22.02 66.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.422 -0.354 . . . . 71.01 111.594 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.527 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 21.7 mmm180 -65.06 -62.24 1.67 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.264 -0.273 . . . . 70.14 110.264 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.833 ' HB3' HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -64.96 -33.58 76.38 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.606 -0.438 . . . . 63.04 110.68 177.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -52.77 -49.74 64.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.926 -0.579 . . . . 74.32 109.867 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -32.84 74.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.92 -0.582 . . . . 74.41 110.006 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 89.7 mt -69.94 -37.56 75.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.956 -0.566 . . . . 75.33 111.343 -176.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.47 ' HA ' HD13 ' A' ' 90' ' ' LEU . 1.5 pp -82.12 -24.62 35.03 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.945 -0.302 . . . . 73.51 111.414 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -68.75 -45.12 72.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.482 0.658 . . . . 75.12 110.237 173.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -89.93 -17.88 27.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.251 -0.886 . . . . 73.41 110.832 -174.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.441 ' HA ' ' CD1' ' A' ' 90' ' ' LEU . 14.6 mmmm 68.71 39.49 1.98 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.316 -0.856 . . . . 73.33 110.748 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.8 m -75.83 141.33 42.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.525 -0.761 . . . . 73.15 109.816 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 7.4 p30 -69.79 -6.25 30.96 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.216 0.45 . . . . 74.23 112.216 -174.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.39 -34.06 73.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.941 0.401 . . . . 74.22 111.394 -174.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.833 HD23 ' HB3' ' A' ' 78' ' ' LEU . 29.1 tp -109.65 -23.77 11.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.274 0.559 . . . . 75.43 110.438 175.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 82' ' ' LEU . 7.5 mt -111.88 21.1 16.34 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.584 -0.735 . . . . 73.35 112.485 -166.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.419 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 28.5 p90 -67.73 159.13 30.78 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.149 0.499 . . . . 74.35 111.253 -178.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.8 p -85.71 131.68 34.28 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.442 -0.799 . . . . 71.54 111.38 -176.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 18.9 p -135.55 171.83 13.88 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.992 -1.004 . . . . 74.12 109.332 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -111.27 66.37 0.63 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.899 -0.321 . . . . 74.21 111.144 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.575 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 24.4 m -82.13 -28.49 32.19 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.201 -0.6 . . . . 55.35 110.598 172.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.576 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 20.9 ptmt -136.97 -48.05 0.6 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.437 -0.347 . . . . 72.51 110.857 175.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.482 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 36.2 p90 -152.54 154.79 36.14 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.049 -0.352 . . . . 64.03 110.049 175.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' A' ' 97' ' ' PHE . 97.0 p 172.27 -163.5 0.02 OUTLIER 'General case' 0 C--O 1.233 0.226 0 O-C-N 124.062 0.851 . . . . 74.05 109.961 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -99.48 163.52 12.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.153 -0.476 . . . . 74.12 109.724 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.561 ' HD3' ' H ' ' A' ' 101' ' ' LYS . 2.3 tppp? -100.34 134.38 43.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.021 0.439 . . . . 71.12 110.617 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.561 ' H ' ' HD3' ' A' ' 100' ' ' LYS . 4.8 mptp? . . . . . 0 C--O 1.249 1.043 0 CA-C-N 115.247 -0.888 . . . . 72.45 110.607 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.601 HG21 ' HA ' ' A' ' 75' ' ' LYS . 5.0 tp . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.398 0.142 . . . . 73.239999999999995 110.769 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.46 ' OE2' HG22 ' A' ' 5' ' ' ILE . 1.9 mp0 -59.52 -45.71 90.97 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 110.06 -0.348 . . . . 75.219999999999999 110.06 -176.119 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.595 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 27.3 m170 -61.12 -41.23 96.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.057 -0.519 . . . . 75.400000000000006 110.498 178.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.403 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 30.7 mmtt -61.59 -50.02 74.28 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 109.652 -0.499 . . . . 62.420000000000002 109.652 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.768 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 58.0 t -52.29 -48.44 44.12 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 CA-C-N 115.733 -0.667 . . . . 64.430000000000007 110.68 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.591 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 13.4 m-30 -63.1 -48.24 79.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.024 -0.534 . . . . 71.409999999999997 109.734 -178.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 80.5 mm-40 -48.31 -45.81 35.52 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.917 0.71 . . . . 71.219999999999999 112.917 -173.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.513 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -92.5 -44.08 8.83 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.701 -0.4 . . . . 63.32 111.735 -177.311 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.56 HD22 ' NH2' ' A' ' 54' ' ' ARG . 16.0 mt -62.36 -46.09 90.22 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.783 0.66 . . . . 74.5 112.783 -175.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.659 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 20.3 pttp -65.31 -22.65 66.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.284 0.564 . . . . 64.0 109.839 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.58 -17.65 28.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.527 -0.761 . . . . 73.420000000000002 111.119 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 16.7 mt-30 -80.65 -9.7 59.77 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 121.551 0.691 . . . . 64.450000000000003 109.473 173.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.676 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 94.83 35.79 5.74 Favored Glycine 0 N--CA 1.435 -1.404 0 CA-C-N 115.124 -0.944 . . . . 61.210000000000001 111.315 -175.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.659 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 4.9 t -119.74 140.6 50.45 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.541 -0.464 . . . . 73.109999999999999 110.895 174.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.437 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -127.64 -6.32 5.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.114 0.483 . . . . 53.420000000000002 110.701 170.852 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -94.39 83.9 4.26 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.92 -0.582 . . . . 72.040000000000006 111.087 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.678 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 14.3 p90 -167.56 160.32 12.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.138 -0.937 . . . . 74.209999999999994 110.703 176.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.56 170.3 32.19 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.605 -0.598 . . . . 42.409999999999997 111.605 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.7 p -93.47 147.53 22.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.323 0.562 . . . . 72.209999999999994 111.358 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.495 ' HG3' ' HB2' ' A' ' 51' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.616 0 N-CA-C 108.876 -0.787 . . . . 74.310000000000002 108.876 173.304 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 . . . . . 0 N--CA 1.448 -0.528 0 CA-C-O 120.865 0.364 . . . . 70.239999999999995 110.487 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.496 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 5.6 m-30 -81.06 107.25 13.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.017 -0.538 . . . . 74.510000000000005 110.034 178.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.74 77.1 2.15 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.762 -0.535 . . . . 71.409999999999997 111.762 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.544 ' HE2' HG23 ' A' ' 67' ' ' VAL . 6.7 m-85 -73.05 132.71 43.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.84 0.352 . . . . 74.120000000000005 110.098 176.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.495 ' HB2' ' HG3' ' A' ' 24' ' ' LYS . 9.0 m -149.46 153.81 37.85 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.502 -0.317 . . . . 74.200000000000003 110.332 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.768 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 37.1 t80 -110.33 124.75 52.26 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.908 -0.405 . . . . 73.219999999999999 109.908 174.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.477 ' CE1' ' HG2' ' A' ' 24' ' ' LYS . 3.5 m-85 -99.21 138.24 36.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.279 -0.873 . . . . 72.340000000000003 111.035 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.678 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -146.31 102.44 3.6 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.401 -0.963 . . . . 71.109999999999999 108.401 176.719 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 63.76 36.04 10.85 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.095 -0.502 . . . . 71.420000000000002 111.742 -173.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.28 -3.23 67.54 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.693 -0.765 . . . . 63.409999999999997 112.868 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -93.33 169.87 10.05 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.847 -0.427 . . . . 74.409999999999997 109.847 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.4 mm -108.07 111.9 37.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 115.556 -0.747 . . . . 72.239999999999995 110.162 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.652 HG11 HD13 ' A' ' 89' ' ' LEU . 93.7 t -91.68 -37.51 9.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 114.932 -1.031 . . . . 70.049999999999997 109.927 177.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.62 142.92 47.04 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.75 -0.659 . . . . 50.049999999999997 110.763 -178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -142.47 133.17 25.39 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.645 -0.502 . . . . 73.209999999999994 109.645 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.88 95.23 0.14 Allowed Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 111.713 -0.555 . . . . 71.510000000000005 111.713 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 33.5 ttpt -97.6 125.56 42.4 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 120.952 0.406 . . . . 54.520000000000003 110.833 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.0 m -151.57 160.57 43.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.151 -0.477 . . . . 71.120000000000005 110.476 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -74.59 -26.6 60.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.563 0.697 . . . . 73.310000000000002 109.209 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -96.75 124.27 40.68 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.787 -1.097 . . . . 62.409999999999997 109.564 177.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.544 HG23 ' HE2' ' A' ' 50' ' ' PHE . 11.6 p -55.51 -40.4 58.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.856 0.36 . . . . 51.299999999999997 110.893 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.69 94.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 35.240000000000002 111.644 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -68.51 -42.69 78.19 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.638 -0.504 . . . . 70.430000000000007 109.638 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.73 -48.9 78.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.782 -0.644 . . . . 71.310000000000002 110.915 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -60.68 -43.03 98.22 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.972 -0.558 . . . . 72.310000000000002 110.57 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -54.42 -48.42 71.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.608 -0.724 . . . . 73.349999999999994 111.531 -176.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.514 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 41.1 mt -60.47 -53.06 54.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.669 -0.696 . . . . 62.039999999999999 111.323 -176.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.3 ptt? -62.59 -39.5 93.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.391 -0.368 . . . . 65.099999999999994 110.542 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.601 ' HA ' HG21 ' A' ' 5' ' ' ILE . 54.6 mttm -56.79 -47.27 80.57 Favored 'General case' 0 C--O 1.227 -0.131 0 CA-C-O 120.749 0.309 . . . . 73.219999999999999 110.884 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.42 ' HA ' ' HB3' ' A' ' 79' ' ' LEU . 27.9 mm-40 -69.18 -15.2 63.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.14 -0.482 . . . . 74.230000000000004 111.725 -178.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 19.2 mmm-85 -69.4 -64.53 0.86 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.512 -0.181 . . . . 73.150000000000006 110.512 177.267 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.791 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -63.75 -30.84 71.89 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 120.789 -0.364 . . . . 74.150000000000006 110.285 178.297 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.42 ' HB3' ' HA ' ' A' ' 76' ' ' GLN . 3.0 tm? -52.79 -48.03 67.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.853 -0.612 . . . . 64.25 109.802 177.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -29.25 68.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.954 -0.566 . . . . 73.109999999999999 110.916 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' A' ' 86' ' ' SER . 80.8 mt -73.61 -39.89 64.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.479 -0.328 . . . . 74.349999999999994 111.416 -175.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.594 HD21 HD11 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -78.17 -25.96 47.43 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.709 -0.396 . . . . 73.319999999999993 111.001 178.018 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -75.74 -43.26 47.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.041 0.448 . . . . 73.140000000000001 110.939 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -88.9 -16.15 32.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.723 -0.671 . . . . 71.239999999999995 110.663 -175.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 66.13 43.72 2.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.275 -0.875 . . . . 65.319999999999993 111.176 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.514 ' HB2' HD22 ' A' ' 81' ' ' LEU . 9.3 m -81.97 128.27 33.9 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.312 -0.858 . . . . 50.539999999999999 108.934 175.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -67.45 -0.17 3.51 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.171 0.804 . . . . 73.439999999999998 113.171 -171.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.527 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.5 mm? -63.08 -35.04 78.92 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.857 0.36 . . . . 72.109999999999999 111.33 -176.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' A' ' 78' ' ' LEU . 18.8 tp -105.05 -25.95 12.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.307 0.575 . . . . 73.519999999999996 110.614 176.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.509 HD11 ' HA ' ' A' ' 82' ' ' LEU . 12.1 mt -106.25 13.99 28.11 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.331 0.863 . . . . 73.420000000000002 113.331 -165.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -70.55 159.78 33.68 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-O 121.289 0.566 . . . . 60.520000000000003 111.537 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.8 m -85.32 148.66 25.93 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.01 -0.996 . . . . 44.539999999999999 109.805 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 32.0 p -146.4 -176.21 5.08 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.137 -0.483 . . . . 75.439999999999998 110.797 -174.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -105.18 40.61 1.49 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 113.187 0.81 . . . . 74.239999999999995 113.187 -175.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.676 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 85.0 m . . . . . 0 N--CA 1.454 -0.251 0 C-N-CA 119.192 -1.003 . . . . 72.409999999999997 109.939 172.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.622 HG21 ' HG2' ' A' ' 75' ' ' LYS . 5.7 tp . . . . . 0 CA--C 1.519 -0.248 0 N-CA-C 109.204 -0.665 . . . . 74.530000000000001 109.204 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -63.66 -41.35 98.2 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.096 -0.956 . . . . 73.409999999999997 108.45 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.484 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 8.3 t-80 -60.21 -40.96 91.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.244 -0.889 . . . . 62.310000000000002 109.886 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.43 ' HG2' ' HA ' ' A' ' 5' ' ' ILE . 66.7 mmtt -62.68 -48.74 77.97 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.148 -0.478 . . . . 71.010000000000005 110.026 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.776 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 35.8 t -55.23 -43.94 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 115.925 -0.579 . . . . 74.120000000000005 110.362 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.439 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 12.5 m-30 -62.08 -51.36 68.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.023 -0.535 . . . . 61.439999999999998 109.812 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 12.1 mm100 -46.6 -44.95 18.6 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.218 0.822 . . . . 75.439999999999998 113.218 -172.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.424 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -92.15 -42.56 9.84 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.858 -0.337 . . . . 74.030000000000001 111.657 -176.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.519 HD12 HG12 ' A' ' 9' ' ' VAL . 20.7 mt -64.15 -45.16 89.69 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.539 0.57 . . . . 63.210000000000001 112.539 -176.263 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.48 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -62.99 -27.32 69.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.192 0.52 . . . . 71.129999999999995 109.687 178.637 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -82.58 -23.59 34.36 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.472 -0.785 . . . . 73.200000000000003 110.196 -175.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -81.35 -6.98 59.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.508 -0.769 . . . . 71.019999999999996 109.303 173.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.605 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 90.73 33.35 8.47 Favored Glycine 0 N--CA 1.439 -1.154 0 CA-C-N 115.333 -0.849 . . . . 74.439999999999998 111.8 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 5.0 t -110.72 139.1 46.31 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.642 -0.423 . . . . 71.010000000000005 110.165 175.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.43 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -124.2 -9.63 7.59 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.477 0.656 . . . . 71.349999999999994 109.617 168.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.426 ' OD1' ' HA ' ' A' ' 55' ' ' HIS . 10.2 t0 -85.05 80.47 9.26 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.111 -0.949 . . . . 72.219999999999999 110.822 -175.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -169.75 157.15 6.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.215 -0.902 . . . . 74.340000000000003 110.462 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.8 165.47 29.03 Favored Glycine 0 C--O 1.226 -0.389 0 C-N-CA 120.973 -0.632 . . . . 71.340000000000003 112.016 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.0 p -91.61 153.17 19.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.958 0.379 . . . . 71.25 111.036 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.525 ' HE3' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 CA-C-O 120.865 0.364 . . . . 64.109999999999999 110.255 172.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.553 ' HB3' ' HG2' ' A' ' 63' ' ' LYS . 45.5 m-85 . . . . . 0 N--CA 1.446 -0.657 0 CA-C-O 120.952 0.406 . . . . 64.329999999999998 110.684 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -85.91 109.21 18.57 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.821 -0.627 . . . . 71.230000000000004 109.662 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.41 74.74 2.45 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.755 -0.657 . . . . 73.340000000000003 111.921 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.53 ' HE2' HG23 ' A' ' 67' ' ' VAL . 2.3 m-85 -74.8 133.78 41.89 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.179 -0.304 . . . . 70.310000000000002 110.179 177.08 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.539 ' HB3' HD12 ' A' ' 58' ' ' ILE . 3.0 m -154.5 152.64 30.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.5 -0.318 . . . . 64.450000000000003 110.793 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.776 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 26.3 t80 -107.29 119.61 39.87 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 109.286 -0.635 . . . . 72.310000000000002 109.286 170.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.513 ' CE1' ' HG2' ' A' ' 24' ' ' LYS . 1.9 m-85 -91.1 144.91 25.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.594 -0.73 . . . . 64.120000000000005 111.447 -177.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.463 ' HB3' HG23 ' A' ' 59' ' ' VAL . 13.8 tpt180 -148.73 104.09 3.44 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.96 -1.018 . . . . 71.019999999999996 109.728 -178.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.426 ' HA ' ' OD1' ' A' ' 20' ' ' ASP . 8.2 m-70 60.16 25.0 14.32 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.8 0.333 . . . . 73.299999999999997 111.653 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.95 -12.48 69.84 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.558 -0.83 . . . . 42.43 112.226 -177.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -90.68 178.09 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.697 -0.483 . . . . 74.519999999999996 109.697 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.539 HD12 ' HB3' ' A' ' 51' ' ' SER . 20.9 mm -116.32 119.92 63.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.08 -0.509 . . . . 63.109999999999999 110.625 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.652 HG11 HD13 ' A' ' 89' ' ' LEU . 64.7 t -96.57 -39.18 8.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.683 -0.689 . . . . 73.439999999999998 110.337 176.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.516 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -130.02 140.84 50.81 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.008 -0.542 . . . . 72.310000000000002 110.566 178.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -141.65 145.49 35.03 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.405 -0.361 . . . . 73.549999999999997 110.247 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.56 99.38 0.18 Allowed Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 111.431 -0.667 . . . . 75.329999999999998 111.431 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.553 ' HG2' ' HB3' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -92.91 115.96 28.61 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.736 -0.468 . . . . 60.350000000000001 109.736 177.755 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.487 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 60.6 m -142.88 162.12 36.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.806 0.336 . . . . 61.350000000000001 110.857 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.9 mtp-105 -77.75 -21.2 52.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.148 0.499 . . . . 74.319999999999993 109.78 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.444 ' HA ' ' HD2' ' A' ' 66' ' ' LYS . 31.0 tptt -109.34 132.94 53.65 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.502 -0.772 . . . . 74.120000000000005 110.278 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.53 HG23 ' HE2' ' A' ' 50' ' ' PHE . 7.2 p -53.7 -41.46 47.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.603 -0.726 . . . . 72.329999999999998 111.764 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.59 -34.34 53.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.334 -0.394 . . . . 54.530000000000001 112.052 -173.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -68.89 -42.28 77.15 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.342 -0.614 . . . . 74.200000000000003 109.342 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.487 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -58.12 -44.49 87.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.175 -0.92 . . . . 53.240000000000002 110.682 176.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.504 ' HB3' ' CE ' ' A' ' 75' ' ' LYS . 65.2 mttm -55.27 -51.13 67.64 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 115.666 -0.697 . . . . 51.43 110.523 173.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -52.68 -46.79 67.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.103 -0.953 . . . . 73.450000000000003 111.365 -174.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.451 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 44.1 mt -61.04 -55.16 26.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.579 -0.737 . . . . 64.319999999999993 111.487 -177.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.512 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 3.8 ptt? -63.95 -41.95 97.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.41 -0.359 . . . . 65.239999999999995 110.758 -177.259 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.622 ' HG2' HG21 ' A' ' 5' ' ' ILE . 56.8 mttm -58.55 -45.54 88.73 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 120.626 0.25 . . . . 64.319999999999993 111.097 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -64.88 -22.54 67.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.311 -0.404 . . . . 65.319999999999993 111.605 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 16.9 mmm180 -64.32 -67.04 0.46 Allowed 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 121.24 -0.184 . . . . 73.319999999999993 110.886 177.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.568 HD22 HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -64.4 -31.05 72.1 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.237 -0.585 . . . . 62.509999999999998 110.95 179.515 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -53.51 -50.35 65.61 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.741 -0.466 . . . . 44.32 109.741 177.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -66.44 -29.89 70.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.284 -0.417 . . . . 71.200000000000003 111.04 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 94.8 mt -70.9 -37.5 72.97 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.502 0.186 . . . . 70.439999999999998 111.502 -177.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.575 HD21 HD11 ' A' ' 5' ' ' ILE . 2.0 pp -82.71 -13.14 56.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.345 . . . . 71.510000000000005 111.265 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -92.2 -42.81 9.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.109 0.481 . . . . 73.010000000000005 110.48 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -83.11 -18.14 40.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.859 -0.609 . . . . 44.210000000000001 110.004 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm 66.64 44.94 2.12 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.982 -1.008 . . . . 53.0 111.029 178.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.412 ' HB2' HD22 ' A' ' 81' ' ' LEU . 19.8 m -85.04 139.88 31.42 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.182 -0.917 . . . . 64.120000000000005 110.145 176.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -68.01 -9.06 42.74 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.315 0.487 . . . . 64.230000000000004 112.315 -174.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.509 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -57.13 -37.81 72.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.76 0.314 . . . . 31.25 111.791 -176.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.652 HD13 HG11 ' A' ' 59' ' ' VAL . 5.3 tp -108.56 -15.33 14.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.438 0.637 . . . . 64.530000000000001 110.469 177.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.5 mt -113.0 19.1 17.55 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 112.898 0.703 . . . . 74.049999999999997 112.898 -170.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -72.3 158.92 34.92 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.731 -0.388 . . . . 72.420000000000002 111.33 -177.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.5 m -82.3 141.76 32.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.74 -0.664 . . . . 52.450000000000003 110.275 177.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.8 p -142.79 174.52 10.58 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.371 -0.377 . . . . 64.510000000000005 110.841 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -108.05 73.4 0.89 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.305 -0.407 . . . . 75.230000000000004 111.642 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.605 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 73.6 m . . . . . 0 N--CA 1.454 -0.273 0 C-N-CA 119.735 -0.786 . . . . 70.349999999999994 110.617 166.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.635 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.448 -0.568 0 CA-C-O 121.125 0.488 . . . . 63.420000000000002 109.827 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.54 ' O ' ' HD1' ' A' ' 10' ' ' TYR . 1.9 mp0 -56.99 -44.97 83.27 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.567 -0.742 . . . . 74.420000000000002 110.292 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.669 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 52.9 m170 -59.33 -42.86 92.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.333 -0.394 . . . . 74.310000000000002 110.469 178.029 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -60.88 -48.65 80.86 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.337 -0.392 . . . . 73.239999999999995 111.021 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.651 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 48.9 t -57.81 -39.84 72.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.001 -0.545 . . . . 63.530000000000001 110.776 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.54 ' HD1' ' O ' ' A' ' 6' ' ' GLU . 28.4 m-85 -69.0 -39.84 79.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.548 -0.296 . . . . 73.409999999999997 110.957 178.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.669 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 24.9 mm-40 -52.43 -45.39 65.96 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.495 0.554 . . . . 75.310000000000002 112.495 -175.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.544 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -94.82 -42.79 8.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.452 0.538 . . . . 61.119999999999997 112.452 -175.48 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.544 ' H ' HD12 ' A' ' 12' ' ' LEU . 20.1 mt -61.99 -42.39 99.09 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.367 0.506 . . . . 63.109999999999999 112.367 -175.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 19.2 pttp -63.54 -29.06 70.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.073 0.464 . . . . 72.329999999999998 109.839 178.264 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.36 -21.18 39.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.747 -0.66 . . . . 75.519999999999996 111.188 -178.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -84.52 -1.87 56.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.585 0.707 . . . . 74.530000000000001 109.625 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.591 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 90.1 32.17 10.07 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-N 115.19 -0.914 . . . . 70.329999999999998 111.921 177.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 5.0 t -114.02 140.4 48.47 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.686 -0.406 . . . . 62.32 110.152 176.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.421 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -125.97 -4.39 6.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.295 0.569 . . . . 74.200000000000003 110.102 171.075 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -93.39 83.59 4.59 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.772 -0.649 . . . . 71.129999999999995 110.474 -175.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.426 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 20.0 p90 -170.34 149.0 3.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.254 -0.884 . . . . 75.409999999999997 110.417 176.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.05 -178.71 48.44 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.41 -0.676 . . . . 71.319999999999993 111.41 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -109.72 150.25 28.58 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 117.447 0.623 . . . . 62.039999999999999 111.061 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.534 ' HG2' ' HB3' ' A' ' 51' ' ' SER . 44.6 pttt . . . . . 0 C--N 1.321 -0.647 0 N-CA-C 109.011 -0.737 . . . . 74.510000000000005 109.011 171.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 . . . . . 0 N--CA 1.445 -0.687 0 N-CA-C 109.859 -0.423 . . . . 75.200000000000003 109.859 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -77.85 113.12 15.42 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.033 -0.53 . . . . 63.32 109.776 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.79 81.58 1.72 Allowed Glycine 0 N--CA 1.441 -1.013 0 CA-C-N 115.825 -0.625 . . . . 75.510000000000005 111.624 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.553 ' HE2' HG23 ' A' ' 67' ' ' VAL . 5.4 m-85 -84.4 130.65 34.76 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.667 -0.494 . . . . 74.099999999999994 109.667 174.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.605 ' OG ' HD12 ' A' ' 58' ' ' ILE . 6.4 t -158.51 149.85 20.86 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.181 -0.463 . . . . 70.109999999999999 109.932 -177.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.651 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 35.9 t80 -104.24 122.35 45.2 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 110.025 -0.361 . . . . 74.140000000000001 110.025 177.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.411 ' HE2' ' HD3' ' A' ' 24' ' ' LYS . 2.0 m-85 -93.41 138.75 31.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.051 -0.977 . . . . 70.239999999999995 110.985 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.487 ' HB3' HG23 ' A' ' 59' ' ' VAL . 13.5 tpt180 -140.19 104.11 4.74 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.192 -0.913 . . . . 71.340000000000003 109.339 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 63.13 25.18 14.79 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.247 0.342 . . . . 74.200000000000003 111.367 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.16 3.61 82.22 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.611 -0.805 . . . . 55.340000000000003 112.125 -177.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -105.51 175.6 5.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.496 -0.557 . . . . 52.420000000000002 109.496 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.605 HD12 ' OG ' ' A' ' 51' ' ' SER . 28.8 mm -112.68 120.93 63.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.128 0.49 . . . . 70.040000000000006 111.101 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.581 HG11 HD13 ' A' ' 89' ' ' LEU . 59.3 t -100.43 -40.94 8.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.319 -0.855 . . . . 73.510000000000005 110.205 176.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.516 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -128.36 142.48 51.11 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 116.178 -0.465 . . . . 75.510000000000005 110.525 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -142.73 136.53 29.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.078 -0.342 . . . . 75.25 110.078 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.448 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -150.33 100.02 0.2 Allowed Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 111.229 -0.748 . . . . 64.019999999999996 111.229 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -99.96 120.91 40.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.777 0.322 . . . . 73.140000000000001 111.167 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.8 m -153.71 156.99 38.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.159 -0.473 . . . . 70.019999999999996 110.255 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -77.87 -16.34 58.34 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.476 -0.564 . . . . 70.400000000000006 109.476 176.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -93.59 121.94 35.52 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.701 -0.681 . . . . 70.329999999999998 109.48 173.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.553 HG23 ' HE2' ' A' ' 50' ' ' PHE . 12.1 p -57.77 -36.91 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 123.463 0.477 . . . . 54.32 110.856 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.23 -26.81 56.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 61.030000000000001 111.671 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -82.0 -44.11 17.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.094 0.473 . . . . 74.310000000000002 109.739 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.56 -51.25 70.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.234 -0.894 . . . . 60.140000000000001 110.527 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.425 ' HG3' ' CE1' ' A' ' 50' ' ' PHE . 5.4 mtpp -54.76 -44.3 73.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.18 -0.918 . . . . 72.340000000000003 110.977 174.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -56.09 -48.78 75.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.88 -0.6 . . . . 73.120000000000005 111.585 -176.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.448 ' HB ' ' HA3' ' A' ' 62' ' ' GLY . 42.6 mt -59.11 -54.99 26.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.758 -0.656 . . . . 73.209999999999994 111.421 -176.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 3.0 ptt? -61.65 -38.51 87.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 75.430000000000007 110.665 -178.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.635 ' HA ' HG21 ' A' ' 5' ' ' ILE . 47.5 mttm -57.09 -51.31 69.78 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 120.612 0.244 . . . . 71.200000000000003 110.683 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -62.12 -20.16 63.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 62.340000000000003 111.926 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.585 ' HA ' ' HE ' ' A' ' 77' ' ' ARG . 1.3 mmp_? -65.86 -66.1 0.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.597 -0.274 . . . . 65.239999999999995 110.406 176.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.537 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -68.02 -28.41 67.38 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.321 -0.552 . . . . 74.010000000000005 110.746 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -52.45 -48.73 65.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 74.530000000000001 110.079 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -72.18 -27.67 62.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.206 -0.452 . . . . 74.310000000000002 110.998 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.9 mt -69.78 -36.77 76.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.711 -0.222 . . . . 71.209999999999994 111.293 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.572 HD21 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -85.12 -27.56 26.15 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.848 -0.341 . . . . 71.209999999999994 111.268 178.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -71.09 -41.87 70.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.04 0.448 . . . . 71.409999999999997 110.799 175.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -89.09 -13.07 39.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.045 -0.525 . . . . 65.420000000000002 110.554 -177.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 65.26 47.33 2.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.41 -0.814 . . . . 72.299999999999997 110.881 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.5 m -89.01 139.32 30.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.624 -0.717 . . . . 75.340000000000003 110.747 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -70.84 -4.37 23.82 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.41 0.522 . . . . 75.040000000000006 112.41 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.427 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -62.91 -32.07 73.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.024 0.44 . . . . 75.420000000000002 111.222 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 89' ' ' LEU . 5.2 tp -114.25 -9.03 12.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.624 0.726 . . . . 65.099999999999994 110.18 176.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.5 mt -119.77 22.44 11.57 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.818 -0.628 . . . . 72.219999999999999 112.394 -172.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -71.65 160.48 32.58 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.01 0.433 . . . . 75.430000000000007 111.639 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.7 m -84.4 139.48 32.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.624 -0.716 . . . . 62.130000000000003 110.607 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 15.3 p -140.18 -178.28 5.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.67 -0.695 . . . . 73.439999999999998 110.197 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -116.96 69.33 0.75 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.497 -0.319 . . . . 72.329999999999998 111.231 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 67.9 m . . . . . 0 C--N 1.331 -0.202 0 O-C-N 121.739 -0.601 . . . . 64.099999999999994 110.57 168.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.793 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 121.204 0.526 . . . . 64.010000000000005 109.723 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.24 -41.27 88.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.212 -0.904 . . . . 71.230000000000004 109.688 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.687 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 1.5 m80 -58.05 -53.07 62.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.034 -0.53 . . . . 72.420000000000002 110.767 172.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.549 ' HG2' ' HA ' ' A' ' 5' ' ' ILE . 52.1 mmtt -55.61 -50.46 70.07 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 123.351 0.407 . . . . 65.400000000000006 111.175 -175.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.424 HG11 ' CE2' ' A' ' 52' ' ' PHE . 7.5 p -65.13 -36.97 79.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 73.120000000000005 111.343 -175.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.5 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 12.0 m-30 -68.09 -34.39 76.31 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.666 -0.494 . . . . 71.409999999999997 109.666 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.687 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 78.3 mm-40 -58.61 -48.66 80.25 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.777 -0.647 . . . . 74.409999999999997 112.136 -174.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.488 ' O ' ' HB3' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -90.63 -33.58 15.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.155 -0.475 . . . . 63.119999999999997 112.218 -173.809 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.502 HD21 ' O ' ' A' ' 89' ' ' LEU . 19.0 mt -66.34 -43.05 87.18 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 120.781 -0.368 . . . . 75.510000000000005 111.822 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 60.7 pttt -64.44 -26.84 68.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.047 0.451 . . . . 74.349999999999994 110.233 177.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.488 ' HB3' ' O ' ' A' ' 12' ' ' LEU . 14.5 t70 -66.85 -45.97 76.53 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.839 -0.618 . . . . 64.420000000000002 110.79 178.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -73.71 -6.64 48.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.125 -0.943 . . . . 73.239999999999995 111.449 -175.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.552 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 95.77 38.07 4.79 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.519 -0.848 . . . . 52.329999999999998 111.726 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.2 t -120.23 138.26 53.75 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.032 -0.358 . . . . 61.130000000000003 110.032 175.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.56 -8.82 6.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.094 0.474 . . . . 72.120000000000005 109.925 168.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.426 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 26.3 t70 -86.16 79.58 9.06 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 121.543 0.687 . . . . 74.219999999999999 111.241 -176.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 13.3 p90 -163.37 165.45 23.99 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.809 -1.087 . . . . 74.040000000000006 109.899 176.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.03 177.62 38.86 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.909 -0.662 . . . . 44.130000000000003 111.531 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 p -112.06 138.26 48.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.997 0.427 . . . . 72.230000000000004 111.477 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.564 ' HG2' ' HB3' ' A' ' 51' ' ' SER . 14.6 pttp . . . . . 0 N--CA 1.449 -0.491 0 N-CA-C 108.51 -0.922 . . . . 61.219999999999999 108.51 171.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 . . . . . 0 N--CA 1.446 -0.646 0 CA-C-O 120.972 0.415 . . . . 73.409999999999997 110.323 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.5 ' CE2' ' HB ' ' A' ' 67' ' ' VAL . 4.5 m-30 -82.32 104.59 12.74 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.099 -0.704 . . . . 73.230000000000004 109.099 175.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.99 76.8 1.88 Allowed Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.688 -0.687 . . . . 71.129999999999995 112.487 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.557 ' CE2' HG23 ' A' ' 67' ' ' VAL . 18.2 m-85 -80.34 136.58 36.42 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.997 -0.372 . . . . 71.530000000000001 109.997 174.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.632 ' OG ' HD12 ' A' ' 58' ' ' ILE . 23.2 t -167.7 145.39 4.49 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.846 -0.427 . . . . 60.520000000000003 109.846 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.63 ' CG ' HD21 ' A' ' 78' ' ' LEU . 41.3 t80 -100.41 121.8 42.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.768 0.318 . . . . 72.109999999999999 110.326 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -93.29 138.12 31.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.235 -0.893 . . . . 75.420000000000002 110.911 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.441 ' HB3' HG23 ' A' ' 59' ' ' VAL . 16.2 tpt180 -141.55 104.35 4.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.387 -0.824 . . . . 75.349999999999994 109.953 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.426 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 6.1 m-70 56.55 31.6 19.33 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.825 0.345 . . . . 62.039999999999999 111.4 -177.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.35 -13.16 64.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 72.140000000000001 112.656 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -89.98 173.46 8.2 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.661 -0.496 . . . . 75.120000000000005 109.661 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.632 HD12 ' OG ' ' A' ' 51' ' ' SER . 25.8 mm -115.8 114.9 47.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.763 -0.653 . . . . 52.509999999999998 110.408 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.684 HG11 HD13 ' A' ' 89' ' ' LEU . 92.5 t -94.2 -38.39 9.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.272 -0.876 . . . . 65.040000000000006 109.735 178.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.415 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -128.36 139.18 52.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.597 -0.728 . . . . 65.109999999999999 110.044 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.423 ' HD2' HG21 ' A' ' 58' ' ' ILE . 2.1 t80 -143.34 125.43 15.37 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.6 -0.518 . . . . 74.420000000000002 109.6 176.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.523 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -141.38 95.54 0.19 Allowed Glycine 0 N--CA 1.44 -1.076 0 N-CA-C 111.235 -0.746 . . . . 61.539999999999999 111.235 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -99.76 124.51 45.1 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.837 0.351 . . . . 61.149999999999999 110.606 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.2 m -155.01 159.93 40.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.22 -0.445 . . . . 62.530000000000001 110.037 177.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -74.46 -19.61 60.32 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.114 -0.698 . . . . 72.200000000000003 109.114 177.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -101.17 126.59 47.89 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.16 -0.927 . . . . 73.209999999999994 109.827 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.557 HG23 ' CE2' ' A' ' 50' ' ' PHE . 3.0 p -55.59 -47.75 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 O-C-N 123.42 0.45 . . . . 74.340000000000003 111.304 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 67' ' ' VAL . . . -63.39 -39.79 95.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.064 -0.516 . . . . 72.120000000000005 111.509 -178.101 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -69.39 -45.3 69.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.075 0.464 . . . . 72.510000000000005 110.271 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.523 ' HB1' ' O ' ' A' ' 62' ' ' GLY . . . -59.05 -47.07 86.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.01 0.909 . . . . 62.530000000000001 110.172 177.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.516 ' HG2' ' NZ ' ' A' ' 75' ' ' LYS . 15.9 ttpt -64.57 -37.3 87.07 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.088 -1.415 . . . . 75.510000000000005 110.439 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.53 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 5.9 t80 -57.31 -50.67 72.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.489 -0.778 . . . . 74.109999999999999 110.961 176.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.2 mt -59.29 -52.67 58.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.84 -0.618 . . . . 71.239999999999995 111.551 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.8 ptt? -60.32 -39.03 85.59 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.266 -0.425 . . . . 64.530000000000001 110.42 -178.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.793 ' HG2' ' HB ' ' A' ' 5' ' ' ILE . 35.0 mttp -55.35 -47.73 75.28 Favored 'General case' 0 CA--C 1.526 0.043 0 CA-C-O 120.629 0.252 . . . . 73.420000000000002 111.286 177.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 83.8 mm-40 -60.68 -25.43 66.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.971 -0.559 . . . . 61.329999999999998 111.38 -177.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.53 ' O ' HD22 ' A' ' 81' ' ' LEU . 23.5 mmm180 -67.43 -69.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.476 . . . . 73.540000000000006 110.874 178.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.646 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -62.57 -32.85 73.89 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.281 -0.567 . . . . 73.319999999999993 110.54 -176.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 9.5 tp -47.2 -54.58 10.38 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 123.647 0.592 . . . . 44.32 110.276 176.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -59.83 -34.3 72.9 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.326 -0.852 . . . . 74.25 111.273 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.631 HD12 ' HB2' ' A' ' 86' ' ' SER . 0.5 OUTLIER -67.06 -42.79 84.16 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.37 -0.532 . . . . 63.399999999999999 110.91 178.797 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.612 HD21 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -80.0 -23.66 41.38 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.075 -0.25 . . . . 74.129999999999995 111.318 -178.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -74.09 -48.94 26.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.073 0.463 . . . . 62.340000000000003 110.885 174.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -86.68 -11.17 52.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.268 0.556 . . . . 73.430000000000007 110.003 -175.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm 60.96 50.94 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.903 -1.044 . . . . 51.210000000000001 110.436 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.631 ' HB2' HD12 ' A' ' 81' ' ' LEU . 10.5 m -96.23 143.36 27.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.251 -0.886 . . . . 64.230000000000004 110.526 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -71.87 -0.61 11.74 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.437 0.532 . . . . 63.509999999999998 112.437 -172.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.416 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.6 mm? -64.6 -33.08 75.08 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.857 0.36 . . . . 75.319999999999993 111.173 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.684 HD13 HG11 ' A' ' 59' ' ' VAL . 10.0 tp -113.34 -14.61 12.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.437 0.637 . . . . 73.409999999999997 110.563 173.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.4 mt -111.07 23.56 13.97 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 112.912 0.708 . . . . 74.040000000000006 112.912 -171.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -75.2 165.1 25.73 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.186 0.517 . . . . 73.129999999999995 111.402 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.3 m -94.0 149.99 20.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.363 -0.835 . . . . 72.109999999999999 111.108 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 18.3 p -146.9 -175.17 4.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.75 -0.659 . . . . 72.299999999999997 109.651 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -124.0 68.98 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.72 0.295 . . . . 74.109999999999999 110.789 176.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 13.2 m . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 121.416 0.627 . . . . 70.329999999999998 110.214 172.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.647 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.626 0.25 . . . . 71.219999999999999 111.594 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.65 -32.95 73.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.711 0.291 . . . . 64.299999999999997 110.233 -175.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -64.02 -39.48 94.2 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.548 -0.538 . . . . 72.209999999999994 109.548 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.483 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 55.6 mmtt -62.59 -48.68 78.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.982 -0.554 . . . . 73.420000000000002 110.046 178.435 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.732 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 57.4 t -54.94 -49.31 71.78 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 CA-C-N 115.803 -0.635 . . . . 75.400000000000006 111.126 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -63.12 -42.52 99.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.307 -0.406 . . . . 71.129999999999995 110.091 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -53.33 -48.09 68.77 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 113.103 0.779 . . . . 42.32 113.103 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -91.26 -38.39 12.7 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.834 -0.346 . . . . 60.119999999999997 111.885 -173.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.554 HD21 ' O ' ' A' ' 89' ' ' LEU . 20.5 mt -64.14 -44.59 91.69 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.185 0.439 . . . . 51.039999999999999 112.185 -177.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.614 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -62.57 -26.09 68.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.332 0.587 . . . . 73.329999999999998 109.872 178.761 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -77.43 -42.23 36.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.069 -0.969 . . . . 61.210000000000001 111.042 -177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -67.69 -19.59 65.19 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.034 -0.53 . . . . 74.420000000000002 110.738 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.54 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 111.12 40.7 1.24 Allowed Glycine 0 N--CA 1.438 -1.215 0 CA-C-N 115.529 -0.759 . . . . 71.150000000000006 111.892 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.614 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.2 t -126.39 135.3 51.27 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.452 -0.499 . . . . 75.310000000000002 110.591 173.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.46 4.81 9.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.285 0.564 . . . . 60.350000000000001 109.712 169.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -104.18 82.97 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.452 -0.794 . . . . 75.510000000000005 110.953 -172.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -168.53 154.44 6.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.657 -0.701 . . . . 65.409999999999997 110.164 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.37 162.52 29.93 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.799 -0.715 . . . . 55.030000000000001 112.124 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.508 HG23 ' CD2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -94.6 150.01 20.67 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.766 0.317 . . . . 41.420000000000002 111.633 -179.628 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.519 ' HE3' ' HB2' ' A' ' 51' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.377 -0.374 . . . . 72.519999999999996 110.154 172.132 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 . . . . . 0 N--CA 1.448 -0.541 0 CA-C-O 120.67 0.271 . . . . 74.120000000000005 110.298 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -87.78 107.51 18.69 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.781 0.324 . . . . 63.310000000000002 110.137 177.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.75 77.14 1.66 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.735 -0.745 . . . . 60.530000000000001 112.403 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.556 ' CE1' HG23 ' A' ' 67' ' ' VAL . 7.3 m-85 -72.68 136.66 45.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.733 0.302 . . . . 74.540000000000006 110.382 176.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.519 ' HB2' ' HE3' ' A' ' 24' ' ' LYS . 2.7 m -157.13 154.7 29.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.438 -0.346 . . . . 64.129999999999995 110.685 -179.279 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.732 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 28.5 t80 -111.69 123.1 49.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.768 -0.456 . . . . 73.329999999999998 109.768 174.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -93.53 140.7 29.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.619 -0.719 . . . . 73.439999999999998 111.987 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.514 ' HB3' HG23 ' A' ' 59' ' ' VAL . 15.1 tpt180 -144.72 105.91 4.2 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.247 -0.888 . . . . 72.019999999999996 109.669 179.348 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 60.85 28.68 18.43 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.792 0.33 . . . . 75.239999999999995 111.082 -177.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.4 -1.29 88.95 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.448 -0.882 . . . . 64.25 112.366 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -97.75 176.29 5.87 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.825 -0.435 . . . . 73.409999999999997 109.825 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.414 HD12 ' HB3' ' A' ' 51' ' ' SER . 23.3 mm -114.42 115.69 50.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.031 -0.531 . . . . 73.439999999999998 110.716 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.629 HG11 HD13 ' A' ' 89' ' ' LEU . 68.2 t -94.33 -38.45 9.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.375 -0.829 . . . . 72.450000000000003 109.871 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.463 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -128.89 137.11 51.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.722 -0.672 . . . . 71.25 110.141 178.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -143.71 130.15 20.0 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.914 -0.402 . . . . 71.010000000000005 109.914 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -154.68 96.78 0.16 Allowed Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.838 -0.696 . . . . 74.409999999999997 112.134 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -92.95 127.38 38.44 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 120.777 0.323 . . . . 50.219999999999999 110.311 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.409 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 27.8 t -142.81 163.21 33.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.291 -0.413 . . . . 71.329999999999998 110.329 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.479 ' O ' ' HD3' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -69.36 -25.42 64.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.933 -0.576 . . . . 75.450000000000003 110.004 179.192 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -120.98 149.98 41.83 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.834 0.349 . . . . 74.430000000000007 111.064 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.556 HG23 ' CE1' ' A' ' 50' ' ' PHE . 3.3 p -61.09 -42.65 94.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.836 -0.62 . . . . 71.420000000000002 111.643 -177.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.8 -52.01 67.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 60.100000000000001 111.855 -176.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -64.82 -43.57 92.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.254 -0.43 . . . . 63.32 110.507 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.409 ' HB2' ' HB3' ' A' ' 64' ' ' SER . . . -58.41 -47.85 82.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.605 -0.725 . . . . 63.340000000000003 111.503 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.579 ' O ' ' HD3' ' A' ' 75' ' ' LYS . 54.4 mtmt -56.83 -46.67 81.52 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.116 0.484 . . . . 63.43 110.335 175.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -54.04 -48.6 70.38 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.022 -0.99 . . . . 73.120000000000005 111.179 -176.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.471 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 48.9 mt -58.37 -56.97 12.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.419 -0.81 . . . . 71.439999999999998 111.675 -177.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.441 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.6 ptt? -64.34 -38.32 90.62 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.878 -0.329 . . . . 74.040000000000006 111.074 -176.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.647 ' HA ' HG21 ' A' ' 5' ' ' ILE . 5.6 mptp? -54.02 -51.15 64.93 Favored 'General case' 0 CA--C 1.526 0.057 0 CA-C-O 120.818 0.342 . . . . 73.349999999999994 110.359 177.481 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -62.2 -24.47 67.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.775 -0.648 . . . . 75.310000000000002 111.912 -178.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.572 ' NE ' ' HA ' ' A' ' 77' ' ' ARG . 3.4 mmp_? -64.88 -63.74 1.04 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.561 -0.29 . . . . 75.409999999999997 111.38 -178.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.75 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -65.33 -30.74 71.62 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.303 -0.559 . . . . 75.209999999999994 110.303 178.632 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.08 -47.17 68.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.693 -0.685 . . . . 73.120000000000005 109.888 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -66.69 -33.69 76.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.105 -0.498 . . . . 63.210000000000001 111.071 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.576 ' HG ' ' HB2' ' A' ' 86' ' ' SER . 5.6 mp -67.1 -41.27 86.56 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.028 -0.533 . . . . 61.210000000000001 111.35 -177.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.603 HD21 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -81.55 -19.5 41.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.856 0.36 . . . . 63.020000000000003 111.465 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -80.47 -47.47 14.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.146 0.498 . . . . 63.310000000000002 110.911 175.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -87.29 -14.16 41.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.685 -0.688 . . . . 72.299999999999997 110.138 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 65.11 54.3 1.25 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.087 -0.96 . . . . 72.450000000000003 110.633 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.576 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 8.3 m -87.53 136.17 33.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.818 -1.083 . . . . 73.239999999999995 109.779 176.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -71.52 -2.42 16.79 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.212 0.449 . . . . 73.140000000000001 112.212 -172.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.466 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -64.29 -39.13 93.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.749 0.309 . . . . 63.310000000000002 110.732 -177.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.75 HD22 ' HB3' ' A' ' 78' ' ' LEU . 15.8 tp -105.55 -13.79 15.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.212 0.53 . . . . 64.310000000000002 111.004 175.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.6 mt -116.22 25.65 10.5 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 112.999 0.74 . . . . 74.5 112.999 -170.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -75.85 161.25 29.15 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.763 -0.375 . . . . 75.040000000000006 111.184 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.7 t -89.07 145.86 25.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.187 0.518 . . . . 54.329999999999998 110.165 178.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 16.8 p -150.62 156.82 42.12 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.83 -0.623 . . . . 31.420000000000002 109.712 -177.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -93.27 78.51 4.49 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.408 -0.517 . . . . 75.299999999999997 110.902 174.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 20.2 m . . . . . 0 C--N 1.33 -0.247 0 C-N-CA 119.946 -0.702 . . . . 51.409999999999997 109.182 163.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.632 HG13 ' O ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 111.807 0.299 . . . . 73.030000000000001 111.807 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.414 ' HA ' HG12 ' A' ' 9' ' ' VAL . 6.5 mt-10 -69.49 -29.98 67.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.037 -0.356 . . . . 63.420000000000002 110.037 -176.082 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -65.39 -45.07 85.49 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.939 -0.573 . . . . 73.129999999999995 109.501 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 60.1 mmtt -62.12 -49.03 77.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.514 -0.766 . . . . 51.0 111.181 -175.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' A' ' 6' ' ' GLU . 7.7 p -65.11 -40.97 90.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.869 -0.605 . . . . 61.219999999999999 111.644 -175.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -68.7 -35.83 77.68 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.402 -0.592 . . . . 73.239999999999995 109.402 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 9.0 mm-40 -51.4 -55.42 18.72 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.575 -0.739 . . . . 65.25 112.279 -175.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.456 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -85.58 -39.11 17.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.669 -0.696 . . . . 52.32 111.628 -174.451 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.436 ' H ' HD12 ' A' ' 12' ' ' LEU . 25.6 mt -62.35 -45.36 93.52 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.193 0.442 . . . . 73.329999999999998 112.193 -177.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -25.99 66.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.016 0.436 . . . . 73.150000000000006 110.132 179.09 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -74.15 -42.75 59.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.716 -0.675 . . . . 72.519999999999996 110.046 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 7.1 mt-30 -67.08 -13.22 61.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.47 -0.786 . . . . 63.439999999999998 110.432 177.177 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.527 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 94.07 30.48 8.79 Favored Glycine 0 N--CA 1.436 -1.347 0 CA-C-N 115.621 -0.718 . . . . 43.439999999999998 112.211 178.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.402 ' C ' ' HE1' ' A' ' 21' ' ' PHE . 4.8 t -100.29 142.96 31.06 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.839 -0.43 . . . . 62.450000000000003 109.839 175.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -125.02 -14.83 6.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.649 0.738 . . . . 73.439999999999998 110.118 170.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -86.21 81.45 8.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.506 -0.77 . . . . 73.420000000000002 110.742 -175.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.507 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 28.0 p90 -169.98 152.05 4.25 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.079 -0.964 . . . . 60.25 110.196 175.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.04 157.6 19.84 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.993 -0.622 . . . . 61.030000000000001 111.654 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -88.64 143.22 27.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.786 0.327 . . . . 63.329999999999998 111.422 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 N-CA-C 109.24 -0.652 . . . . 52.119999999999997 109.24 174.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 N--CA 1.447 -0.58 0 N-CA-C 109.698 -0.482 . . . . 75.099999999999994 109.698 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -88.84 113.29 24.23 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.248 -0.433 . . . . 73.239999999999995 109.947 177.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.05 81.33 1.6 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.905 -0.664 . . . . 73.409999999999997 111.974 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.574 ' HB3' ' SD ' ' A' ' 74' ' ' MET . 12.1 m-85 -83.39 134.32 34.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.933 0.397 . . . . 75.099999999999994 110.229 174.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.493 ' HB3' HD12 ' A' ' 58' ' ' ILE . 16.0 m -154.77 153.86 31.89 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.298 -0.41 . . . . 71.549999999999997 110.459 177.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.574 ' CG ' HD21 ' A' ' 78' ' ' LEU . 33.2 t80 -110.19 121.88 46.32 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.549 -0.538 . . . . 62.439999999999998 109.549 174.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -92.07 141.01 29.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.645 -0.707 . . . . 42.329999999999998 111.194 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.516 ' HB3' HG23 ' A' ' 59' ' ' VAL . 13.8 tpt180 -145.31 104.08 3.9 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.262 -0.881 . . . . 73.129999999999995 109.647 -178.116 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 61.67 24.37 14.49 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.734 0.302 . . . . 70.239999999999995 111.557 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.86 -2.68 80.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 62.210000000000001 111.869 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -100.1 177.16 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.657 -0.498 . . . . 63.200000000000003 109.657 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.493 HD12 ' HB3' ' A' ' 51' ' ' SER . 13.9 mm -117.02 113.23 42.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.057 -0.52 . . . . 75.340000000000003 110.196 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.694 HG11 HD13 ' A' ' 89' ' ' LEU . 77.5 t -90.65 -36.95 8.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.582 -0.735 . . . . 73.340000000000003 109.849 176.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -127.33 136.24 51.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.739 -0.664 . . . . 63.43 110.676 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -138.51 128.43 25.3 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.045 -0.525 . . . . 72.019999999999996 109.813 174.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.42 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -147.64 92.34 0.15 Allowed Glycine 0 N--CA 1.442 -0.953 0 CA-C-N 115.834 -0.621 . . . . 64.209999999999994 111.63 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HE2' ' HB3' ' A' ' 63' ' ' LYS . 36.4 ttpt -100.01 117.53 34.49 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.825 -0.435 . . . . 71.319999999999993 109.825 177.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.1 t -144.8 164.3 31.47 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.924 0.393 . . . . 64.439999999999998 110.769 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -69.69 -30.61 68.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.7 -0.682 . . . . 64.409999999999997 110.498 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -101.39 133.5 45.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.749 -0.659 . . . . 61.310000000000002 109.965 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.454 HG23 ' HE2' ' A' ' 50' ' ' PHE . 7.4 p -59.36 -45.16 93.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.921 -0.581 . . . . 51.43 111.366 -175.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.64 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . . . -69.16 -34.29 74.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.212 -0.449 . . . . 75.109999999999999 111.726 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -71.49 -44.56 64.48 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.791 -0.448 . . . . 71.319999999999993 109.791 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.544 ' HA ' HD12 ' A' ' 73' ' ' ILE . . . -54.47 -47.76 72.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.05 0.928 . . . . 63.310000000000002 110.232 174.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.64 ' HE2' ' HA ' ' A' ' 68' ' ' ALA . 30.2 ttpt -61.84 -42.72 99.38 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 113.609 -1.632 . . . . 73.010000000000005 110.226 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -55.84 -48.09 76.09 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.804 -0.635 . . . . 64.420000000000002 110.858 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.544 HD12 ' HA ' ' A' ' 70' ' ' ALA . 45.0 mt -57.32 -54.18 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.609 -0.723 . . . . 72.140000000000001 111.37 -177.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.574 ' SD ' ' HB3' ' A' ' 50' ' ' PHE . 2.7 ptt? -63.58 -39.03 93.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.428 -0.351 . . . . 73.319999999999993 110.538 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.632 ' O ' HG13 ' A' ' 5' ' ' ILE . 56.2 mttm -57.91 -47.65 82.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 121.021 -0.272 . . . . 74.450000000000003 110.918 178.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -60.32 -26.29 66.44 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.778 0.288 . . . . 73.219999999999999 111.778 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 4.0 mmp_? -62.56 -60.8 3.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.402 -0.363 . . . . 62.350000000000001 110.844 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.769 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -69.99 -33.58 72.23 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.034 -0.666 . . . . 74.120000000000005 110.166 178.91 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -51.74 -51.03 59.27 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.851 -0.613 . . . . 73.109999999999999 109.881 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 14.6 mmmt -65.69 -33.84 76.82 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.928 -0.578 . . . . 74.129999999999995 111.443 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.565 HD23 ' HB2' ' A' ' 89' ' ' LEU . 4.2 mp -64.41 -43.63 93.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.511 -0.313 . . . . 75.129999999999995 111.388 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.523 HD21 HD11 ' A' ' 5' ' ' ILE . 0.8 OUTLIER -77.62 -31.5 52.87 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.922 -0.311 . . . . 74.25 111.531 -179.332 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -73.4 -44.16 59.01 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.083 0.468 . . . . 73.040000000000006 111.037 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -83.57 -18.33 38.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.785 -0.643 . . . . 74.5 110.311 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm 67.67 46.3 1.34 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.123 -0.944 . . . . 62.219999999999999 110.662 -177.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.482 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 5.2 m -78.71 134.69 37.07 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 114.501 -1.227 . . . . 64.200000000000003 109.933 174.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -69.2 -3.19 12.64 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.499 0.555 . . . . 62.450000000000003 112.499 -174.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.406 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.8 mm? -64.18 -39.56 94.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.579 0.228 . . . . 73.430000000000007 111.156 -176.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.769 HD22 ' HB3' ' A' ' 78' ' ' LEU . 21.4 tp -105.42 -12.98 15.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.603 0.716 . . . . 63.43 111.08 176.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.497 HD11 ' HA ' ' A' ' 82' ' ' LEU . 14.6 mt -114.78 21.6 14.25 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.807 -0.633 . . . . 65.120000000000005 112.68 -170.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -71.96 159.01 34.96 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.862 0.363 . . . . 74.140000000000001 110.755 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.7 p -84.82 136.75 33.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.855 -0.611 . . . . 75.219999999999999 110.332 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.6 p -136.39 174.26 10.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.113 -0.494 . . . . 75.030000000000001 109.959 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -113.39 66.33 0.66 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.802 0.334 . . . . 75.409999999999997 111.241 -177.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 42.3 m . . . . . 0 C--N 1.333 -0.113 0 C-N-CA 120.357 -0.537 . . . . 53.5 110.642 170.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.708 HG22 ' HG2' ' A' ' 75' ' ' LYS . 4.7 tp . . . . . 0 CA--C 1.521 -0.148 0 N-CA-C 111.154 0.057 . . . . 53.229999999999997 111.154 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.15 -32.33 73.86 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.483 -0.562 . . . . 73.209999999999994 109.483 -178.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.665 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 22.3 t60 -66.53 -52.36 46.58 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.159 -0.682 . . . . 73.099999999999994 109.159 174.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HG2' ' H ' ' A' ' 8' ' ' LYS . 57.5 mmtt -59.57 -51.02 71.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.396 -0.82 . . . . 63.5 111.464 -174.066 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.489 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 11.1 p -62.36 -38.2 80.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.912 -0.585 . . . . 73.120000000000005 111.241 -175.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.571 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 14.4 m-30 -69.49 -34.12 73.86 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.518 -0.549 . . . . 71.120000000000005 109.518 177.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.665 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 17.4 mm-40 -56.69 -51.16 69.85 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.124 -0.489 . . . . 74.310000000000002 112.175 -174.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.54 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -87.35 -40.16 14.68 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.335 -0.393 . . . . 74.540000000000006 111.853 -176.002 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.54 ' H ' HD12 ' A' ' 12' ' ' LEU . 18.9 mt -61.11 -45.16 95.85 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.103 0.408 . . . . 74.239999999999995 112.103 -177.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 63.0 pttt -64.36 -30.63 71.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.032 0.444 . . . . 73.329999999999998 109.813 177.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -69.91 -41.47 74.64 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.908 -0.587 . . . . 71.219999999999999 110.74 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 9.2 mt-30 -66.65 -6.28 14.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.564 -0.744 . . . . 73.510000000000005 110.789 177.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.486 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 88.95 33.36 9.79 Favored Glycine 0 N--CA 1.439 -1.139 0 C-N-CA 120.87 -0.681 . . . . 55.450000000000003 111.404 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.4 t -107.5 133.12 52.44 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.585 -0.446 . . . . 61.310000000000002 111.15 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -133.82 68.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.185 -0.672 . . . . 64.209999999999994 109.185 165.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.618 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 15.5 t70 -159.27 76.65 0.7 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.484 -0.78 . . . . 74.230000000000004 109.326 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.546 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 22.2 p90 -171.34 147.54 2.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.401 -0.818 . . . . 72.430000000000007 110.671 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.71 167.85 39.9 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 116.097 -0.501 . . . . 65.049999999999997 111.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.5 p -98.13 135.29 40.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.934 0.367 . . . . 71.319999999999993 111.105 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 N-CA-C 109.254 -0.647 . . . . 72.150000000000006 109.254 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 109.804 -0.443 . . . . 75.109999999999999 109.804 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 15.5 m-85 -87.83 116.84 26.26 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 120.904 0.383 . . . . 70.25 110.3 176.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.53 84.64 1.32 Allowed Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.763 -0.653 . . . . 62.329999999999998 111.796 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.651 ' HE1' HG23 ' A' ' 67' ' ' VAL . 3.1 m-85 -84.13 137.54 33.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.823 0.344 . . . . 55.32 110.628 177.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.523 ' HB3' HD12 ' A' ' 58' ' ' ILE . 11.6 m -154.44 150.36 27.78 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.188 -0.46 . . . . 53.119999999999997 110.386 176.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.557 ' CG ' HD21 ' A' ' 78' ' ' LEU . 65.7 t80 -106.62 122.74 46.94 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.7 -0.481 . . . . 72.5 109.7 174.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -95.9 134.57 38.74 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.963 0.79 . . . . 74.400000000000006 110.75 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.546 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.7 OUTLIER -143.42 104.22 4.21 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.791 -0.818 . . . . 72.219999999999999 108.791 177.06 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.618 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 5.2 m-70 64.32 24.2 13.22 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.831 -0.622 . . . . 71.150000000000006 111.983 -175.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.71 -7.73 77.04 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.652 -0.785 . . . . 62.229999999999997 112.5 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -92.06 168.57 11.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.504 -0.554 . . . . 65.540000000000006 109.504 177.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.523 HD12 ' HB3' ' A' ' 51' ' ' SER . 20.3 mm -108.25 106.18 20.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.683 -0.69 . . . . 55.149999999999999 110.079 178.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.634 HG11 HD13 ' A' ' 89' ' ' LEU . 88.8 t -85.56 -37.17 11.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 CA-C-N 114.994 -1.003 . . . . 72.420000000000002 109.966 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -129.4 137.78 51.11 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 115.699 -0.682 . . . . 72.099999999999994 110.949 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.435 ' HD1' ' HG ' ' A' ' 51' ' ' SER . 61.2 t80 -138.07 130.1 28.63 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.51 -0.552 . . . . 61.119999999999997 109.51 173.019 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.408 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -152.61 95.6 0.16 Allowed Glycine 0 N--CA 1.44 -1.074 0 C-N-CA 120.821 -0.704 . . . . 63.340000000000003 111.768 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 31.0 ttpt -98.72 133.67 42.72 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 110.275 -0.269 . . . . 70.420000000000002 110.275 176.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.1 m -149.28 165.82 30.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.91 0.386 . . . . 73.049999999999997 111.283 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -62.64 -31.86 72.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.549 -0.751 . . . . 73.129999999999995 110.159 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -118.95 145.65 45.61 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.762 -0.654 . . . . 63.350000000000001 110.871 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.651 HG23 ' HE1' ' A' ' 50' ' ' PHE . 7.4 p -61.46 -39.32 82.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.432 -0.804 . . . . 52.539999999999999 112.22 -173.029 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.96 -29.44 58.28 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.932 0.345 . . . . 61.299999999999997 111.932 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -73.57 -40.12 64.15 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.967 -0.753 . . . . 64.420000000000002 108.967 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 62' ' ' GLY . . . -59.39 -43.04 92.99 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.812 -1.085 . . . . 74.129999999999995 110.416 176.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.558 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 87.6 mttt -55.48 -49.44 72.52 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 115.545 -0.752 . . . . 74.340000000000003 110.567 173.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.451 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 47.2 t80 -52.95 -50.19 64.54 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.127 -0.942 . . . . 65.439999999999998 111.107 -174.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 35.3 mt -62.2 -48.82 86.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.824 -0.626 . . . . 52.509999999999998 110.913 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.48 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 54.3 ttp -53.4 -51.22 63.26 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.634 -0.712 . . . . 74.319999999999993 110.665 175.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.708 ' HG2' HG22 ' A' ' 5' ' ' ILE . 65.3 mttm -63.53 -40.93 98.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.485 -0.78 . . . . 70.129999999999995 111.668 -176.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 28.6 mm-40 -62.64 -28.86 70.2 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.503 0.192 . . . . 71.25 111.382 178.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 74' ' ' MET . 13.3 mmm180 -57.75 -65.23 0.67 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.502 -0.317 . . . . 75.150000000000006 110.74 176.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.757 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -66.12 -33.03 74.85 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.128 -0.629 . . . . 73.109999999999999 110.51 -178.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -51.69 -49.28 62.72 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.987 -0.552 . . . . 64.109999999999999 110.776 -178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -69.69 -32.06 70.45 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.81 -0.356 . . . . 34.350000000000001 110.954 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.59 ' HG ' ' HB2' ' A' ' 86' ' ' SER . 4.9 mp -64.38 -41.52 96.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.42 -0.354 . . . . 73.430000000000007 111.665 -178.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.673 HD21 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -79.8 -22.75 42.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.685 0.279 . . . . 75.200000000000003 111.699 -178.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -82.16 -38.82 24.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.205 0.526 . . . . 65.329999999999998 110.537 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -89.15 -15.6 33.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.465 -0.789 . . . . 72.409999999999997 110.256 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp 67.26 43.25 2.08 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.295 -0.866 . . . . 73.340000000000003 110.757 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.59 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 7.8 m -78.16 131.59 37.26 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 114.852 -1.067 . . . . 71.109999999999999 110.247 178.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -63.78 -9.52 15.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.162 -0.472 . . . . 63.140000000000001 111.967 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.46 HD23 ' HB3' ' A' ' 86' ' ' SER . 2.7 mm? -58.81 -43.81 90.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.677 -0.238 . . . . 73.409999999999997 111.263 -177.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.757 HD22 ' HB3' ' A' ' 78' ' ' LEU . 27.9 tp -100.88 -24.61 14.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.413 0.625 . . . . 64.420000000000002 110.952 175.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.455 HD11 ' HA ' ' A' ' 82' ' ' LEU . 8.5 mt -107.99 25.48 11.53 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 113.03 0.752 . . . . 74.519999999999996 113.03 -167.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -73.0 160.5 32.0 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 120.148 -0.621 . . . . 75.430000000000007 110.739 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.4 t -84.23 141.07 31.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.509 -0.769 . . . . 55.420000000000002 110.132 -178.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.1 p -139.64 169.57 17.49 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.729 -0.669 . . . . 73.129999999999995 109.577 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -108.79 68.02 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.578 0.228 . . . . 72.109999999999999 111.155 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 16.7 m . . . . . 0 C--N 1.331 -0.219 0 C-N-CA 120.079 -0.648 . . . . 74.200000000000003 110.373 170.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.58 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.449 -0.482 0 CA-C-O 120.429 0.157 . . . . 75.340000000000003 111.229 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.55 ' OE1' HG22 ' A' ' 5' ' ' ILE . 1.2 mp0 -68.03 -37.61 81.57 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.106 -0.702 . . . . 52.439999999999998 109.106 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.644 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 17.2 t-80 -56.34 -43.2 78.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.947 -1.024 . . . . 75.340000000000003 109.273 174.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -63.21 -51.08 67.72 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.817 -0.628 . . . . 73.230000000000004 110.843 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.744 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 57.4 t -53.97 -41.82 51.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.833 -0.621 . . . . 72.239999999999995 110.501 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.642 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 3.6 m-30 -65.73 -50.31 65.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.907 -0.588 . . . . 73.310000000000002 110.123 178.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.644 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 27.5 mm-40 -49.06 -45.0 42.28 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.282 0.845 . . . . 72.430000000000007 113.282 -173.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.507 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -94.85 -41.62 9.12 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.189 0.44 . . . . 63.32 112.189 -174.617 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.579 HD22 ' NH2' ' A' ' 54' ' ' ARG . 22.7 mt -65.5 -42.4 92.17 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.093 0.405 . . . . 72.540000000000006 112.093 -175.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.642 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 58.0 pttt -64.85 -25.41 67.89 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.893 -0.323 . . . . 71.329999999999998 110.558 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -73.22 -45.45 56.04 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.034 0.445 . . . . 71.230000000000004 110.444 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -62.86 -25.31 68.22 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.413 -0.812 . . . . 65.319999999999993 110.204 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.632 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 115.1 39.0 0.98 Allowed Glycine 0 N--CA 1.434 -1.48 0 CA-C-N 115.272 -0.876 . . . . 54.049999999999997 111.802 -178.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.553 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.7 t -125.6 135.45 52.21 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.265 -0.574 . . . . 52.340000000000003 111.171 175.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.53 -7.55 9.66 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.49 0.662 . . . . 72.329999999999998 109.54 170.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.477 ' OD1' ' HA ' ' A' ' 55' ' ' HIS . 14.1 t70 -91.32 81.91 5.46 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 115.325 -0.852 . . . . 74.349999999999994 111.329 -172.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.714 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 11.4 p90 -166.51 155.54 10.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.016 -0.993 . . . . 75.120000000000005 110.366 176.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.54 178.29 48.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.079 -0.581 . . . . 71.329999999999998 111.649 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.8 p -106.66 149.09 27.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.852 0.358 . . . . 70.140000000000001 111.088 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.4 pttt . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 121.116 0.484 . . . . 73.299999999999997 110.221 173.233 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 110.113 -0.329 . . . . 74.310000000000002 110.113 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.453 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 4.1 m-30 -84.54 108.67 17.43 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.243 -0.435 . . . . 64.430000000000007 110.441 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.05 77.42 1.98 Allowed Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.358 -0.697 . . . . 44.340000000000003 111.358 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.554 ' CE2' HG23 ' A' ' 67' ' ' VAL . 6.2 m-85 -72.11 131.98 43.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.764 0.316 . . . . 73.219999999999999 110.307 177.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.525 ' HB3' HD12 ' A' ' 58' ' ' ILE . 3.7 m -144.22 147.2 33.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.578 -0.283 . . . . 54.329999999999998 110.304 177.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.744 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 26.7 t80 -104.51 123.27 47.2 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.597 -0.519 . . . . 75.030000000000001 109.597 175.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -96.94 139.34 33.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.351 -0.84 . . . . 73.430000000000007 111.308 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.714 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -147.58 106.22 3.81 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.633 -0.877 . . . . 73.349999999999994 108.633 177.63 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.477 ' HA ' ' OD1' ' A' ' 20' ' ' ASP . 22.1 m80 63.31 25.46 14.69 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.36 0.413 . . . . 61.119999999999997 112.053 -175.097 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.12 2.31 89.41 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.335 -0.936 . . . . 44.219999999999999 112.202 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -99.11 171.37 8.06 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.162 -0.681 . . . . 71.25 109.162 175.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.525 HD12 ' HB3' ' A' ' 51' ' ' SER . 22.2 mm -108.74 115.31 49.06 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.803 -0.635 . . . . 74.109999999999999 110.34 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.6 HG11 HD13 ' A' ' 89' ' ' LEU . 74.8 t -96.19 -37.35 7.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.13 -0.941 . . . . 74.439999999999998 109.979 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.453 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -130.75 146.94 52.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.954 -0.567 . . . . 63.030000000000001 110.788 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -148.03 134.88 20.09 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.099 -0.704 . . . . 74.109999999999999 109.099 177.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -157.49 103.99 0.24 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.158 -0.544 . . . . 42.450000000000003 111.759 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 35.8 ttmt -103.68 122.46 45.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.895 0.379 . . . . 70.109999999999999 110.67 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.7 m -146.79 159.74 43.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.11 -0.495 . . . . 52.439999999999998 110.48 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -74.68 -18.17 60.56 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.507 0.67 . . . . 74.439999999999998 109.901 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -110.45 127.62 55.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.554 -0.748 . . . . 75.439999999999998 109.85 176.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.554 HG23 ' CE2' ' A' ' 50' ' ' PHE . 2.7 p -53.03 -41.73 42.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 O-C-N 123.563 0.539 . . . . 74.109999999999999 111.335 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.24 -49.2 78.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 71.319999999999993 111.713 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -67.99 -39.56 83.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.771 0.32 . . . . 62.030000000000001 110.403 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.85 -47.33 86.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.535 . . . . 61.32 110.914 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.497 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 54.4 mtmt -61.76 -40.52 95.44 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 115.841 -0.618 . . . . 73.329999999999998 110.056 176.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.506 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 6.1 t80 -56.06 -49.63 73.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.274 -0.875 . . . . 75.109999999999999 110.998 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 45.2 mt -60.1 -54.65 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.71 -0.677 . . . . 55.240000000000002 111.532 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 3.1 ptt? -61.03 -39.37 89.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.434 -0.348 . . . . 75.25 110.776 -177.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.58 ' HA ' HG21 ' A' ' 5' ' ' ILE . 62.6 mttm -60.35 -45.27 94.08 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 121.18 -0.208 . . . . 54.200000000000003 111.186 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 14.4 mm100 -61.72 -25.89 67.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.726 0.298 . . . . 60.130000000000003 111.178 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.507 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 3.2 mmp_? -62.36 -61.99 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.327 -0.397 . . . . 70.549999999999997 110.685 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.779 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -66.35 -33.83 76.61 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.585 -0.446 . . . . 74.310000000000002 110.377 178.792 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -51.48 -50.76 59.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.745 -0.661 . . . . 71.530000000000001 110.181 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 11.5 mmmt -67.03 -27.62 67.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.393 -0.367 . . . . 72.219999999999999 111.232 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 87.7 mt -72.96 -39.31 66.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.67 -0.241 . . . . 63.420000000000002 111.12 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.558 HD21 HD11 ' A' ' 5' ' ' ILE . 1.7 pp -82.97 -24.11 33.09 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.879 -0.329 . . . . 74.400000000000006 111.541 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -74.66 -47.01 34.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.155 0.503 . . . . 72.129999999999995 110.35 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -82.48 -15.36 52.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.866 -0.607 . . . . 71.519999999999996 110.228 -176.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 85' ' ' LYS . 1.7 mmmp? 63.07 60.74 1.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.077 -0.965 . . . . 73.120000000000005 109.779 -176.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.8 m -103.03 143.39 32.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.876 -1.057 . . . . 72.219999999999999 110.535 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -68.64 -12.63 61.6 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.723 0.638 . . . . 73.129999999999995 112.723 -171.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.511 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -55.45 -37.61 67.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.711 0.291 . . . . 64.430000000000007 111.618 -174.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.779 HD22 ' HB3' ' A' ' 78' ' ' LEU . 24.6 tp -108.04 -27.48 10.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.429 0.633 . . . . 74.109999999999999 110.679 177.201 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.498 HD11 ' HA ' ' A' ' 82' ' ' LEU . 8.5 mt -104.75 18.97 21.3 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.502 -0.772 . . . . 71.540000000000006 112.7 -166.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -68.81 157.77 35.79 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 120.303 -0.559 . . . . 74.340000000000003 110.863 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 t -85.94 144.73 27.48 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.43 -0.804 . . . . 53.130000000000003 109.715 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 18.4 p -145.51 179.46 7.4 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.66 -0.7 . . . . 71.140000000000001 109.591 -176.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -113.57 73.1 0.8 Allowed 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.145 0.278 . . . . 63.119999999999997 110.546 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.632 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 58.3 m . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 121.52 0.676 . . . . 52.32 109.807 167.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.602 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 121.257 0.551 . . . . 70.340000000000003 110.453 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.423 ' OE1' HG22 ' A' ' 5' ' ' ILE . 1.9 mp0 -63.4 -38.44 91.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.396 -0.82 . . . . 62.43 110.271 -179.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.724 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 85.5 m-70 -65.25 -42.35 93.38 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.675 -0.491 . . . . 61.119999999999997 109.675 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -61.14 -49.48 77.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.767 -0.651 . . . . 73.319999999999993 111.259 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.466 HG11 ' CE2' ' A' ' 52' ' ' PHE . 10.9 p -64.71 -34.19 68.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.029 -0.532 . . . . 74.219999999999999 111.117 -177.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.463 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 19.8 m-30 -67.6 -37.74 82.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.483 -0.562 . . . . 72.420000000000002 109.483 176.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.724 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 26.1 mm-40 -56.46 -52.51 64.42 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.491 -0.777 . . . . 74.030000000000001 112.075 -172.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.471 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -86.87 -39.28 15.97 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.022 -0.536 . . . . 74.140000000000001 111.853 -173.629 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.471 ' H ' HD12 ' A' ' 12' ' ' LEU . 17.3 mt -63.38 -42.22 98.83 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.281 0.474 . . . . 43.020000000000003 112.281 -177.169 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 61.8 pttt -62.92 -32.19 73.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.966 0.412 . . . . 73.099999999999994 110.028 176.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.53 -37.91 74.15 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.765 -0.652 . . . . 71.420000000000002 110.645 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -68.98 -9.14 50.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.49 -0.777 . . . . 72.049999999999997 111.111 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.538 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 93.68 38.53 5.22 Favored Glycine 0 N--CA 1.437 -1.268 0 C-N-CA 120.627 -0.796 . . . . 74.120000000000005 111.445 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 2.9 t -120.16 142.86 48.57 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.709 -0.396 . . . . 72.510000000000005 111.278 175.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.54 3.42 7.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.52 0.676 . . . . 73.319999999999993 109.198 168.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -102.98 84.41 2.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.082 -0.963 . . . . 74.140000000000001 110.584 -171.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.629 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 18.2 p90 -173.11 149.5 1.83 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.727 -0.669 . . . . 71.329999999999998 110.855 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.83 -168.22 35.84 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.605 -0.598 . . . . 73.230000000000004 111.605 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.3 p -123.02 147.38 46.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 117.117 0.458 . . . . 74.120000000000005 110.922 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.53 ' HG2' ' HB2' ' A' ' 51' ' ' SER . 39.8 pttt . . . . . 0 C--N 1.324 -0.529 0 N-CA-C 108.978 -0.749 . . . . 72.439999999999998 108.978 171.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 . . . . . 0 N--CA 1.45 -0.433 0 N-CA-C 109.965 -0.383 . . . . 74.219999999999999 109.965 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -87.83 117.09 26.44 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.296 -0.631 . . . . 72.519999999999996 109.296 173.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.01 84.72 1.36 Allowed Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 115.782 -0.645 . . . . 44.25 111.882 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.591 ' HE2' HG23 ' A' ' 67' ' ' VAL . 14.3 m-85 -88.55 127.55 35.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.975 0.416 . . . . 62.340000000000003 110.068 176.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.53 ' HB2' ' HG2' ' A' ' 24' ' ' LYS . 7.3 m -152.37 144.92 24.15 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.195 -0.457 . . . . 74.109999999999999 110.607 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.598 ' CG ' HD21 ' A' ' 78' ' ' LEU . 42.4 t80 -99.83 122.78 43.3 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 116.275 -0.421 . . . . 63.329999999999998 109.885 175.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -96.96 136.6 37.3 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.012 -0.995 . . . . 73.510000000000005 110.933 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.629 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.7 OUTLIER -144.99 104.94 4.03 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.331 -0.989 . . . . 64.140000000000001 108.331 176.756 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 8.5 m-70 68.26 24.32 7.5 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.414 0.446 . . . . 63.450000000000003 111.358 -173.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.43 -5.35 81.32 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.466 -0.873 . . . . 73.209999999999994 112.059 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -89.84 174.07 7.9 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.441 -0.577 . . . . 74.120000000000005 109.441 175.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.527 HD12 ' HB3' ' A' ' 51' ' ' SER . 25.8 mm -113.26 111.58 36.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.877 -0.601 . . . . 75.140000000000001 110.538 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.617 HG11 HD13 ' A' ' 89' ' ' LEU . 93.1 t -91.84 -38.63 10.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-N 115.158 -0.928 . . . . 72.319999999999993 109.852 176.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -126.78 130.86 51.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.642 -0.708 . . . . 74.310000000000002 110.373 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.603 ' HE1' ' HE2' ' A' ' 63' ' ' LYS . 2.8 t80 -134.22 131.51 38.62 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.828 -0.434 . . . . 71.329999999999998 109.828 174.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.81 102.2 0.3 Allowed Glycine 0 N--CA 1.44 -1.046 0 N-CA-C 111.147 -0.781 . . . . 72.219999999999999 111.147 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.603 ' HE2' ' HE1' ' A' ' 61' ' ' TYR . 6.9 tppt? -101.84 118.47 37.0 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.81 -0.441 . . . . 73.420000000000002 109.81 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.503 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 69.8 m -153.16 151.73 30.46 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.367 -0.378 . . . . 62.310000000000002 110.915 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -65.82 -28.63 69.13 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.101 -0.703 . . . . 73.409999999999997 109.101 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.686 ' HD2' ' HB2' ' A' ' 69' ' ' ASN . 40.1 ttmt -91.97 125.06 36.52 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.065 -0.971 . . . . 63.350000000000001 110.28 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.591 HG23 ' HE2' ' A' ' 50' ' ' PHE . 7.3 p -57.07 -45.16 84.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.162 -0.472 . . . . 73.219999999999999 110.988 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.17 -36.74 77.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.064 -0.516 . . . . 55.109999999999999 112.012 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.686 ' HB2' ' HD2' ' A' ' 66' ' ' LYS . 14.4 t-20 -69.71 -45.54 67.99 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.104 0.478 . . . . 63.039999999999999 109.927 -178.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -57.0 -47.38 80.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.181 -0.918 . . . . 35.32 110.605 177.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.458 ' HG2' ' HE2' ' A' ' 75' ' ' LYS . 24.5 ttpt -62.41 -40.2 95.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 113.907 -1.497 . . . . 75.519999999999996 110.247 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -58.11 -49.19 77.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.612 -0.722 . . . . 71.019999999999996 110.78 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.489 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 57.0 mt -58.03 -53.97 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.522 -0.763 . . . . 74.329999999999998 111.517 -177.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.516 ' SD ' ' HB3' ' A' ' 50' ' ' PHE . 2.5 ptt? -61.36 -39.27 89.99 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.875 -0.33 . . . . 73.439999999999998 110.698 -178.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.602 ' HA ' HG21 ' A' ' 5' ' ' ILE . 47.7 mttm -57.05 -47.63 80.47 Favored 'General case' 0 N--CA 1.458 -0.058 0 CA-C-O 120.526 0.203 . . . . 75.450000000000003 110.773 177.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.416 ' HA ' ' HB3' ' A' ' 79' ' ' LEU . 85.4 mm-40 -67.47 -15.48 63.69 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.451 -0.34 . . . . 75.109999999999999 111.803 -178.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 36.0 mmt180 -67.61 -63.72 1.0 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.848 -0.427 . . . . 72.340000000000003 109.848 176.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.794 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -69.22 -31.53 70.17 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.529 -0.469 . . . . 74.109999999999999 110.331 -179.368 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.416 ' HB3' ' HA ' ' A' ' 76' ' ' GLN . 3.1 tm? -51.76 -50.48 60.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.135 0.493 . . . . 72.519999999999996 110.021 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.45 -29.82 68.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.978 -0.555 . . . . 75.25 111.215 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.562 ' HG ' ' HB2' ' A' ' 86' ' ' SER . 5.3 mp -69.42 -33.28 72.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.331 -0.395 . . . . 42.5 111.928 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.602 HD21 HD11 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -87.31 -20.89 26.16 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.764 -0.374 . . . . 72.420000000000002 111.216 178.209 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -74.76 -47.88 28.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.252 0.549 . . . . 63.140000000000001 110.16 174.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -88.5 -14.76 37.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.395 -0.821 . . . . 64.439999999999998 110.546 -177.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 66.77 37.3 4.23 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.51 -0.768 . . . . 71.409999999999997 110.887 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.562 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 3.0 m -67.49 135.93 53.82 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.214 -0.903 . . . . 72.319999999999993 110.222 178.202 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -69.25 -5.71 24.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.652 -0.249 . . . . 50.439999999999998 111.61 -176.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.441 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -59.92 -44.11 94.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.555 -0.293 . . . . 75.049999999999997 111.244 -177.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.794 HD22 ' HB3' ' A' ' 78' ' ' LEU . 19.4 tp -94.74 -28.54 15.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.506 0.669 . . . . 71.230000000000004 110.656 175.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.4 mt -104.57 22.76 14.43 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.274 -0.876 . . . . 72.120000000000005 113.136 -165.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -68.78 157.81 35.64 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 120.332 -0.547 . . . . 70.019999999999996 110.844 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.7 m -89.3 134.37 34.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.735 -0.666 . . . . 73.230000000000004 111.12 -176.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.8 p -128.3 -178.84 4.71 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.434 -0.803 . . . . 53.130000000000003 109.365 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -125.94 72.54 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.021 0.439 . . . . 73.540000000000006 110.681 176.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 17.3 m . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 121.038 0.447 . . . . 63.109999999999999 110.242 173.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.601 HG13 ' O ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 112.144 0.424 . . . . 72.329999999999998 112.144 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.473 ' HA ' HG12 ' A' ' 9' ' ' VAL . 38.6 mt-10 -72.72 -28.19 62.51 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 120.292 -0.563 . . . . 73.239999999999995 109.82 -174.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.727 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 32.8 m170 -64.49 -47.17 79.93 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.078 -0.712 . . . . 73.400000000000006 109.078 170.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -57.41 -50.52 72.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.597 -0.729 . . . . 54.450000000000003 111.432 -177.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.522 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 14.7 p -63.26 -32.73 57.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.004 -0.544 . . . . 74.400000000000006 111.421 -176.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.463 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 17.2 m-30 -70.49 -37.58 74.22 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 108.923 -0.769 . . . . 61.229999999999997 108.923 175.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.727 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 26.4 mm-40 -57.82 -45.93 85.44 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.619 -0.719 . . . . 64.010000000000005 111.81 -172.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.551 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -92.6 -44.48 8.58 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.314 -0.403 . . . . 74.439999999999998 111.979 -174.312 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.551 ' H ' HD12 ' A' ' 12' ' ' LEU . 21.0 mt -60.9 -43.96 97.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.22 0.452 . . . . 75.540000000000006 112.22 -175.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 59.9 pttt -63.65 -27.58 69.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.1 0.476 . . . . 60.109999999999999 110.325 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -75.94 -33.1 59.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.854 -0.612 . . . . 73.010000000000005 110.478 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 5.1 mt-30 -79.38 -0.29 32.17 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.455 -0.793 . . . . 73.140000000000001 111.183 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.547 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 90.52 36.68 6.83 Favored Glycine 0 N--CA 1.439 -1.131 0 C-N-CA 120.387 -0.911 . . . . 73.349999999999994 111.608 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.618 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 2.8 t -123.67 128.81 50.19 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 120.488 -0.485 . . . . 53.409999999999997 110.192 174.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.498 ' OE1' ' HB3' ' A' ' 95' ' ' CYS . 1.9 pm0 -121.95 3.88 9.94 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.324 0.583 . . . . 73.420000000000002 109.993 173.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.64 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 29.1 t0 -103.96 85.63 2.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.384 -0.825 . . . . 74.530000000000001 110.683 -174.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -167.41 167.35 13.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.151 -0.932 . . . . 74.510000000000005 110.441 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.5 176.0 39.06 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.155 -0.545 . . . . 74.230000000000004 112.067 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 p -114.15 139.93 48.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.967 0.383 . . . . 63.140000000000001 111.305 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' CD ' ' HE1' ' A' ' 53' ' ' PHE . 47.5 pttt . . . . . 0 C--N 1.323 -0.56 0 N-CA-C 109.898 -0.408 . . . . 71.140000000000001 109.898 173.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.487 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 4.4 m-85 . . . . . 0 N--CA 1.45 -0.441 0 CA-C-O 120.956 0.407 . . . . 54.439999999999998 110.57 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.494 ' CE2' ' HB ' ' A' ' 67' ' ' VAL . 14.6 m-30 -83.97 113.38 20.95 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.952 -0.758 . . . . 74.540000000000006 108.952 173.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.85 76.83 1.97 Allowed Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.793 -0.718 . . . . 53.530000000000001 111.68 177.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.531 ' CE2' HG23 ' A' ' 67' ' ' VAL . 5.8 m-85 -76.73 111.66 12.48 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.841 -0.429 . . . . 64.329999999999998 109.841 177.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.52 ' HB3' HD12 ' A' ' 58' ' ' ILE . 0.9 OUTLIER -131.34 141.31 49.89 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.267 -0.424 . . . . 73.109999999999999 110.978 -175.85 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.583 ' CG ' HD21 ' A' ' 78' ' ' LEU . 39.4 t80 -101.1 121.63 42.14 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 109.718 -0.475 . . . . 72.420000000000002 109.718 173.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.465 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 21.5 m-85 -99.55 135.54 40.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.236 -0.893 . . . . 75.299999999999997 112.026 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -134.24 117.52 16.56 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.353 -0.98 . . . . 74.049999999999997 108.353 165.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.64 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 16.1 m-70 64.1 22.26 12.84 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.844 0.354 . . . . 72.120000000000005 111.911 -177.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.64 2.25 88.85 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.441 -0.885 . . . . 34.539999999999999 112.128 -177.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.465 ' O ' ' HA ' ' A' ' 53' ' ' PHE . 26.7 m-80 -95.79 169.49 9.97 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 109.809 -0.441 . . . . 75.120000000000005 109.809 176.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.52 HD12 ' HB3' ' A' ' 51' ' ' SER . 25.9 mm -107.51 110.65 32.62 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-N 115.653 -0.703 . . . . 75.109999999999999 110.526 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.659 HG11 HD13 ' A' ' 89' ' ' LEU . 87.8 t -90.99 -35.17 6.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 CA-C-N 115.13 -0.941 . . . . 74.310000000000002 109.556 176.172 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -138.83 140.21 38.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.696 -0.684 . . . . 72.010000000000005 110.971 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.401 ' HE1' ' HB2' ' A' ' 63' ' ' LYS . 2.3 t80 -143.51 125.58 15.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.869 0.366 . . . . 73.319999999999993 110.053 173.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.22 104.55 0.67 Allowed Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.688 -0.687 . . . . 72.310000000000002 111.558 176.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.487 ' HG3' ' HB3' ' A' ' 47' ' ' TYR . 3.0 tppp? -96.16 118.4 32.66 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.651 0.262 . . . . 71.230000000000004 110.669 -178.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.519 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 56.5 m -156.59 152.47 27.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.548 -0.296 . . . . 72.319999999999993 110.771 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -71.41 -28.64 64.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.731 -0.841 . . . . 62.119999999999997 108.731 176.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.551 ' HD2' ' HB2' ' A' ' 69' ' ' ASN . 22.7 ttmm -89.34 123.73 33.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.783 -1.099 . . . . 73.219999999999999 109.86 178.082 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.531 HG23 ' CE2' ' A' ' 50' ' ' PHE . 6.1 p -56.6 -44.35 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 123.38 0.425 . . . . 55.119999999999997 110.928 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.18 -37.61 88.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 74.209999999999994 111.55 -178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.551 ' HB2' ' HD2' ' A' ' 66' ' ' LYS . 5.6 t30 -73.58 -43.68 59.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.755 -0.461 . . . . 74.430000000000007 109.755 -178.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.519 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -61.29 -49.43 77.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.523 -0.762 . . . . 44.130000000000003 111.096 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.503 ' HE2' HG22 ' A' ' 67' ' ' VAL . 54.3 mtmt -55.77 -44.91 78.12 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 115.93 -0.577 . . . . 41.340000000000003 110.275 176.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.419 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 33.3 t80 -56.01 -49.89 72.4 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.139 -0.937 . . . . 72.230000000000004 111.202 -175.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.4 mt -57.82 -55.25 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.663 -0.699 . . . . 73.219999999999999 111.751 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.493 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.7 ptt? -62.66 -38.98 92.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.531 -0.304 . . . . 74.010000000000005 110.69 -178.033 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.601 ' O ' HG13 ' A' ' 5' ' ' ILE . 62.6 mttm -62.67 -42.58 99.7 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.67 -0.241 . . . . 74.109999999999999 111.193 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 30.4 mm-40 -62.12 -25.88 67.98 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.606 0.241 . . . . 64.140000000000001 111.243 177.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.557 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 16.0 mmm180 -62.22 -66.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 73.409999999999997 110.701 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.855 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -66.02 -30.51 71.06 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.225 -0.59 . . . . 62.109999999999999 110.836 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -53.4 -46.12 69.58 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.259 0.552 . . . . 72.209999999999994 109.825 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.82 -26.49 59.75 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.809 -0.632 . . . . 62.439999999999998 111.128 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 92.3 mt -73.22 -34.24 65.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.574 -0.285 . . . . 75.109999999999999 111.295 -178.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.59 HD21 HD11 ' A' ' 5' ' ' ILE . 1.4 pp -83.5 -21.18 32.87 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.805 -0.358 . . . . 73.010000000000005 111.013 177.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -83.44 -37.28 23.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 71.319999999999993 110.995 176.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -91.08 -11.35 38.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.177 0.513 . . . . 74.099999999999994 110.125 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 64.19 35.61 10.06 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.216 -0.902 . . . . 75.129999999999995 111.255 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.6 m -72.29 135.99 46.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.527 -0.761 . . . . 70.530000000000001 110.493 178.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -69.57 -1.71 9.51 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.205 0.446 . . . . 74.439999999999998 112.205 -175.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.24 -38.79 92.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.598 0.237 . . . . 72.310000000000002 111.201 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.855 HD22 ' HB3' ' A' ' 78' ' ' LEU . 18.9 tp -103.98 -15.78 15.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.263 0.554 . . . . 73.239999999999995 110.492 177.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.8 mt -115.78 21.02 14.21 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.759 -0.655 . . . . 72.0 112.764 -168.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -67.37 163.97 19.6 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.26 0.552 . . . . 53.25 112.098 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.6 m -81.23 140.36 34.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.411 -0.813 . . . . 43.020000000000003 111.325 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.1 p -149.52 165.91 30.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.924 -0.58 . . . . 74.409999999999997 109.457 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -115.17 83.54 1.93 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.172 0.511 . . . . 72.120000000000005 110.263 174.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.547 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 10.2 m . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 116.088 -0.505 . . . . 62.109999999999999 110.252 169.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.51 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 121.107 0.48 . . . . 74.409999999999997 110.727 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -68.27 -42.27 79.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.066 -0.515 . . . . 75.329999999999998 110.093 -177.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.627 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 17.1 t-80 -57.78 -40.92 80.97 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.452 -0.574 . . . . 73.140000000000001 109.452 175.396 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.42 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 67.4 mmtt -59.68 -52.34 65.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 62.140000000000001 110.741 178.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.785 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 46.6 t -55.7 -43.85 74.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.145 -0.48 . . . . 72.400000000000006 110.561 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.42 ' CD1' ' HE1' ' A' ' 21' ' ' PHE . 13.4 m-30 -63.11 -48.47 78.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.062 -0.517 . . . . 73.140000000000001 109.634 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.627 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 20.4 mm-40 -50.66 -47.35 58.73 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 113.032 0.753 . . . . 54.530000000000001 113.032 -173.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.522 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -89.29 -45.72 9.3 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.713 -0.395 . . . . 72.430000000000007 111.711 -175.764 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.522 ' H ' HD12 ' A' ' 12' ' ' LEU . 20.1 mt -61.78 -44.67 96.41 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.274 0.472 . . . . 60.229999999999997 112.274 -175.224 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -63.31 -28.71 70.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.142 0.496 . . . . 73.310000000000002 110.096 178.896 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -75.84 -33.87 60.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.816 -0.629 . . . . 62.329999999999998 110.361 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 6.8 mt-30 -75.98 -3.1 33.74 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.479 -0.782 . . . . 73.439999999999998 109.934 176.205 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.723 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 87.13 45.83 5.23 Favored Glycine 0 N--CA 1.43 -1.731 0 C-N-CA 120.598 -0.81 . . . . 60.009999999999998 111.338 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 4.6 t -123.71 135.4 53.84 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 119.832 -0.747 . . . . 72.510000000000005 111.241 172.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.463 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -123.76 -4.04 8.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.352 0.596 . . . . 65.299999999999997 109.689 170.101 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -93.71 82.3 4.32 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.393 -0.821 . . . . 54.439999999999998 110.899 -175.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.421 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 20.4 p90 -169.48 162.13 10.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.989 -1.005 . . . . 73.340000000000003 110.32 176.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.64 167.63 33.6 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.99 -0.624 . . . . 55.420000000000002 112.135 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.1 p -95.26 150.17 20.53 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.592 0.234 . . . . 61.549999999999997 111.358 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.41 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.413 0 N-CA-C 109.628 -0.508 . . . . 72.010000000000005 109.628 171.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 . . . . . 0 N--CA 1.448 -0.54 0 CA-C-O 121.013 0.435 . . . . 62.030000000000001 110.293 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.627 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 3.4 m-30 -78.27 103.3 8.12 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.693 -0.685 . . . . 73.340000000000003 109.8 175.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.71 76.64 1.98 Allowed Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.887 -0.597 . . . . 55.43 111.962 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.528 ' HB3' ' SD ' ' A' ' 74' ' ' MET . 6.4 m-85 -73.75 119.03 17.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.942 0.401 . . . . 52.539999999999999 110.004 177.465 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.533 ' HB3' HD12 ' A' ' 58' ' ' ILE . 1.3 m -135.29 143.99 46.54 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.99 -0.55 . . . . 75.510000000000005 110.505 -176.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.785 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 22.6 t80 -106.41 123.64 48.37 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.799 -0.445 . . . . 62.439999999999998 109.799 173.263 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.41 ' CE1' ' HG2' ' A' ' 24' ' ' LYS . 7.3 m-85 -99.92 134.69 42.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.469 -0.787 . . . . 62.009999999999998 111.624 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.421 ' HG3' ' HB3' ' A' ' 21' ' ' PHE . 60.1 ttt180 -134.95 119.19 17.71 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.777 -0.823 . . . . 75.420000000000002 108.777 167.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 59.53 19.42 7.9 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.589 0.588 . . . . 74.120000000000005 112.589 -179.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.12 -4.3 62.57 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.458 -0.877 . . . . 73.349999999999994 112.884 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -98.11 171.66 8.1 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.048 0.452 . . . . 75.010000000000005 110.149 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.533 HD12 ' HB3' ' A' ' 51' ' ' SER . 23.8 mm -104.87 109.73 28.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.324 -0.853 . . . . 64.540000000000006 110.012 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.618 HG11 HD13 ' A' ' 89' ' ' LEU . 88.7 t -88.14 -36.12 8.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 115.058 -0.973 . . . . 73.049999999999997 109.622 177.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.448 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -136.75 138.22 40.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.566 -0.743 . . . . 71.230000000000004 110.695 178.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.486 ' HD1' ' HG ' ' A' ' 51' ' ' SER . 76.1 t80 -141.88 133.52 26.94 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.9 0.381 . . . . 73.319999999999993 110.087 173.224 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.478 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -156.77 104.63 0.26 Allowed Glycine 0 N--CA 1.438 -1.19 0 N-CA-C 111.119 -0.793 . . . . 54.020000000000003 111.119 175.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.627 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 20.0 pttm -101.15 151.91 21.27 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.363 -0.535 . . . . 73.5 109.564 176.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.8 t -165.73 162.42 18.65 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.697 -0.683 . . . . 54.329999999999998 109.67 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -68.11 -23.18 64.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.862 0.363 . . . . 74.349999999999994 110.348 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -108.44 139.26 43.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.97 -0.559 . . . . 71.120000000000005 110.843 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.508 HG23 ' CE2' ' A' ' 50' ' ' PHE . 3.0 p -60.5 -43.53 94.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.814 -0.63 . . . . 54.130000000000003 111.123 177.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.491 ' HA ' ' CE ' ' A' ' 71' ' ' LYS . . . -62.57 -43.6 98.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.602 -0.272 . . . . 72.439999999999998 111.729 -177.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -68.85 -46.2 69.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.312 -0.404 . . . . 72.209999999999994 110.376 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.1 -46.76 82.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.888 -0.596 . . . . 73.0 111.062 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.491 ' CE ' ' HA ' ' A' ' 68' ' ' ALA . 55.5 mtmt -55.42 -47.33 76.12 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.288 0.566 . . . . 70.099999999999994 110.223 174.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -55.22 -48.52 73.78 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.831 -1.077 . . . . 63.450000000000003 111.106 -174.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.493 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 37.6 mt -58.75 -54.71 29.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.758 -0.655 . . . . 74.340000000000003 111.626 -177.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.528 ' SD ' ' HB3' ' A' ' 50' ' ' PHE . 2.5 ptt? -64.44 -39.15 93.27 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.905 -0.318 . . . . 75.540000000000006 110.66 -176.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.51 ' HA ' HG21 ' A' ' 5' ' ' ILE . 60.2 mttm -61.18 -45.22 95.5 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.199 -0.2 . . . . 73.439999999999998 110.982 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -64.14 -20.27 65.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.57 -0.286 . . . . 73.150000000000006 111.271 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.494 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 37.6 mmt180 -66.56 -66.72 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.669 -0.241 . . . . 75.540000000000006 110.388 177.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.679 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -61.29 -33.67 73.94 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.546 -0.461 . . . . 73.219999999999999 110.221 178.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -52.64 -49.93 64.18 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.194 -0.457 . . . . 72.019999999999996 109.95 177.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -67.83 -28.56 67.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.356 -0.384 . . . . 55.409999999999997 110.937 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 93.1 mt -71.87 -38.08 70.09 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.634 -0.257 . . . . 60.310000000000002 111.048 -178.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.479 HD21 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -80.64 -24.29 39.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.701 0.286 . . . . 74.099999999999994 110.839 176.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.96 -41.34 59.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.277 0.56 . . . . 54.340000000000003 111.036 175.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -88.79 -22.35 23.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.624 -0.716 . . . . 60.240000000000002 109.969 -175.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 66.64 56.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.364 -0.835 . . . . 72.340000000000003 109.902 -174.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.2 m -98.99 145.0 27.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.903 -1.044 . . . . 75.099999999999994 110.5 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -66.55 -11.43 52.95 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.718 0.636 . . . . 74.430000000000007 112.718 -173.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.505 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.8 mm? -56.57 -38.62 72.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.654 0.242 . . . . 74.219999999999999 111.654 -175.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.679 HD22 ' HB3' ' A' ' 78' ' ' LEU . 18.6 tp -109.74 -24.88 10.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.103 0.478 . . . . 74.049999999999997 111.069 177.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 mt -108.36 19.74 19.47 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 112.872 0.693 . . . . 65.530000000000001 112.872 -168.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -67.68 159.9 29.12 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.05 0.452 . . . . 75.209999999999994 111.183 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.7 m -77.98 134.22 37.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.58 -0.736 . . . . 62.329999999999998 110.358 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.2 p -137.58 171.23 14.76 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.204 -0.453 . . . . 64.510000000000005 109.936 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -111.76 75.05 0.9 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.883 -0.327 . . . . 73.409999999999997 111.264 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.723 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 74.3 m . . . . . 0 N--CA 1.452 -0.348 0 C-N-CA 120.068 -0.653 . . . . 75.310000000000002 109.817 165.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.517 HD11 HD21 ' A' ' 82' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.998 0.428 . . . . 75.230000000000004 110.72 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -67.82 -42.38 81.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.123 -0.49 . . . . 72.040000000000006 109.759 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.674 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 2.5 m80 -53.92 -48.29 70.32 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.82 -0.627 . . . . 74.140000000000001 110.298 173.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -53.67 -53.59 49.78 Favored 'General case' 0 N--CA 1.463 0.21 0 O-C-N 123.687 0.617 . . . . 74.549999999999997 111.289 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.772 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 50.4 t -54.44 -43.05 61.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 71.099999999999994 110.914 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -70.48 -38.35 74.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 109.894 -177.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.674 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 20.0 mm-40 -55.08 -48.34 73.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.018 -0.537 . . . . 55.409999999999997 111.783 -174.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.572 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -92.56 -46.2 7.74 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.274 0.472 . . . . 74.310000000000002 112.274 -173.402 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.572 ' H ' HD12 ' A' ' 12' ' ' LEU . 22.7 mt -62.78 -44.0 97.34 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.562 0.579 . . . . 74.409999999999997 112.562 -174.197 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.667 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 13.4 pttm -66.49 -23.09 66.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.938 0.399 . . . . 75.530000000000001 110.118 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -82.84 -35.92 25.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.754 -0.657 . . . . 61.32 110.615 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -66.77 -38.62 86.92 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.362 0.601 . . . . 74.109999999999999 109.935 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.509 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 133.46 39.17 0.21 Allowed Glycine 0 N--CA 1.441 -1.003 0 CA-C-N 115.169 -0.923 . . . . 62.219999999999999 112.255 -177.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.667 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 2.9 t -127.78 134.69 49.5 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.385 -0.526 . . . . 73.329999999999998 110.908 173.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.45 1.92 9.6 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.479 0.657 . . . . 73.019999999999996 109.433 170.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.437 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 21.8 t0 -103.18 83.08 2.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.317 -0.856 . . . . 73.140000000000001 110.961 -171.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.459 ' HE2' ' HB3' ' A' ' 18' ' ' CYS . 11.2 p90 -169.09 161.82 10.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.42 -0.809 . . . . 72.099999999999994 110.393 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.8 171.74 37.12 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.75 -0.54 . . . . 74.420000000000002 111.75 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.2 p -95.24 150.98 19.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.062 0.458 . . . . 61.340000000000003 111.522 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.594 ' HE3' ' OG ' ' A' ' 51' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.71 0 N-CA-C 109.198 -0.667 . . . . 72.400000000000006 109.198 171.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 . . . . . 0 N--CA 1.442 -0.866 0 N-CA-C 109.613 -0.514 . . . . 65.409999999999997 109.613 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -73.16 108.41 6.03 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.23 -0.441 . . . . 73.329999999999998 109.941 177.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.05 76.53 1.76 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.838 -0.696 . . . . 71.120000000000005 111.637 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.681 ' CE1' HG23 ' A' ' 67' ' ' VAL . 1.5 m-85 -78.67 124.76 28.52 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.016 0.436 . . . . 64.239999999999995 110.063 177.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.691 ' HG ' ' HD1' ' A' ' 61' ' ' TYR . 2.8 m -150.51 154.83 38.33 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.313 -0.403 . . . . 73.530000000000001 110.733 -178.062 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.772 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 27.1 t80 -112.44 123.94 51.4 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.273 -0.64 . . . . 74.409999999999997 109.273 172.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.526 ' CE2' ' HG2' ' A' ' 24' ' ' LYS . 3.4 m-85 -99.49 140.59 33.45 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.406 -0.815 . . . . 72.420000000000002 111.646 -177.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -143.57 117.22 9.22 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.409 -0.814 . . . . 75.239999999999995 108.828 168.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.437 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 16.5 m-70 62.92 21.2 12.72 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.081 0.4 . . . . 73.200000000000003 112.081 -178.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.46 7.6 84.44 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.231 -0.985 . . . . 63.25 112.41 -177.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -101.66 175.19 5.64 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 109.455 -0.572 . . . . 74.439999999999998 109.455 174.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.497 HD12 ' HB3' ' A' ' 51' ' ' SER . 23.2 mm -113.07 114.92 48.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.398 0.618 . . . . 72.299999999999997 110.422 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.663 HG11 HD13 ' A' ' 89' ' ' LEU . 96.3 t -93.33 -34.87 6.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 115.15 -0.932 . . . . 75.420000000000002 109.429 175.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.54 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -133.25 135.16 44.78 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.402 -0.817 . . . . 71.120000000000005 110.369 179.118 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.691 ' HD1' ' HG ' ' A' ' 51' ' ' SER . 65.3 t80 -142.0 128.08 19.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.836 0.35 . . . . 75.349999999999994 110.156 175.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.509 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -148.57 99.89 0.2 Allowed Glycine 0 N--CA 1.44 -1.079 0 N-CA-C 111.028 -0.829 . . . . 35.310000000000002 111.028 177.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -96.5 122.77 39.76 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.823 0.344 . . . . 72.310000000000002 110.403 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.438 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 57.4 m -152.08 158.2 42.67 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.351 -0.386 . . . . 71.310000000000002 110.544 178.05 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -69.39 -29.49 67.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.982 0.42 . . . . 70.299999999999997 110.434 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.469 ' NZ ' ' HB2' ' A' ' 66' ' ' LYS . 2.2 ttmp? -104.26 129.1 52.09 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.248 -0.433 . . . . 64.540000000000006 110.264 177.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.681 HG23 ' CE1' ' A' ' 50' ' ' PHE . 2.2 p -52.46 -47.39 47.57 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 115.659 -0.7 . . . . 72.219999999999999 111.869 -177.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.46 -40.56 75.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.406 0.521 . . . . 63.450000000000003 112.406 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 72' ' ' TYR . 7.0 t30 -73.41 -46.84 46.31 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.123 0.487 . . . . 74.140000000000001 110.036 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.438 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -56.99 -47.04 81.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.326 -0.852 . . . . 73.510000000000005 110.759 178.341 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.452 ' HG2' ' HE2' ' A' ' 75' ' ' LYS . 30.1 ttpt -64.53 -37.66 88.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.323 -1.308 . . . . 75.120000000000005 110.151 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.405 ' HB3' ' O ' ' A' ' 69' ' ' ASN . 36.2 t80 -58.8 -49.73 76.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.269 -0.878 . . . . 74.109999999999999 110.876 178.007 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.538 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 34.8 mt -59.31 -49.78 82.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.829 -0.623 . . . . 62.229999999999997 110.565 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 59.0 ttp -52.38 -53.75 40.77 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.579 -0.737 . . . . 75.329999999999998 110.998 177.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.457 ' HA ' HG21 ' A' ' 5' ' ' ILE . 50.9 mttm -59.55 -48.24 82.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.653 -0.703 . . . . 65.040000000000006 111.464 -177.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -59.61 -25.68 64.83 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.765 0.283 . . . . 71.519999999999996 111.765 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.547 ' NE ' ' HA ' ' A' ' 77' ' ' ARG . 3.2 mmp_? -63.26 -66.05 0.6 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.691 -0.231 . . . . 65.209999999999994 110.954 177.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.568 HD21 ' CG ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -68.39 -32.9 73.29 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 119.868 -0.733 . . . . 71.200000000000003 110.611 -178.164 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -50.86 -48.36 60.18 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.422 -0.585 . . . . 71.349999999999994 109.422 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -66.92 -34.27 77.4 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.806 -0.634 . . . . 72.519999999999996 111.226 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.58 ' HG ' ' HB2' ' A' ' 86' ' ' SER . 4.8 mp -68.54 -35.25 77.18 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.278 -0.419 . . . . 62.140000000000001 111.933 -177.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.517 HD21 HD11 ' A' ' 5' ' ' ILE . 0.9 OUTLIER -87.37 -21.38 25.69 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.846 -0.341 . . . . 61.530000000000001 111.516 179.324 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -80.71 -48.79 12.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.278 0.561 . . . . 73.239999999999995 110.547 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 85' ' ' LYS . 9.4 t70 -79.04 -21.08 47.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.663 -0.699 . . . . 74.349999999999994 110.275 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 84' ' ' ASP . 13.7 mmmm 72.46 38.71 0.79 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.141 -0.936 . . . . 72.0 110.911 -178.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.58 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 5.6 m -71.5 128.18 34.99 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.24 -0.891 . . . . 61.200000000000003 109.721 175.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -67.83 1.23 2.7 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.607 0.595 . . . . 74.530000000000001 112.607 -174.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.86 -39.51 87.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.738 0.304 . . . . 61.130000000000003 110.962 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.663 HD13 HG11 ' A' ' 59' ' ' VAL . 14.3 tp -94.69 -19.7 20.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.014 0.435 . . . . 72.439999999999998 110.759 175.208 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.3 mt -111.96 17.63 19.52 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 113.44 0.904 . . . . 64.109999999999999 113.44 -166.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -65.77 162.21 19.2 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.12 0.486 . . . . 75.5 111.718 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.5 m -87.92 145.71 25.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.65 -0.704 . . . . 72.230000000000004 111.354 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.1 p -150.94 162.24 41.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.515 -0.766 . . . . 74.409999999999997 109.062 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -105.15 73.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.55 0.214 . . . . 63.420000000000002 111.256 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 11.7 m . . . . . 0 C--N 1.331 -0.207 0 C-N-CA 120.283 -0.567 . . . . 73.140000000000001 110.088 170.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.583 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.447 -0.582 0 CA-C-O 121.309 0.576 . . . . 71.150000000000006 110.422 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mp0 -64.75 -37.07 86.36 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.309 -0.859 . . . . 71.5 110.031 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.743 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 29.6 m170 -67.97 -42.69 80.46 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.506 -0.478 . . . . 74.340000000000003 109.978 175.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -58.79 -48.84 79.85 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 123.339 0.399 . . . . 64.340000000000003 110.617 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.441 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 10.4 p -65.57 -35.13 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.906 -0.588 . . . . 70.420000000000002 111.034 -177.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.447 ' CD1' ' HE1' ' A' ' 21' ' ' PHE . 15.3 m-30 -70.04 -33.42 71.94 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 109.771 -0.455 . . . . 74.420000000000002 109.771 177.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.743 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 27.0 mm-40 -56.3 -60.18 3.87 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.967 -0.56 . . . . 63.210000000000001 111.792 -175.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.463 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -82.44 -35.81 27.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.453 -0.794 . . . . 65.439999999999998 112.101 -172.475 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.463 ' H ' HD12 ' A' ' 12' ' ' LEU . 21.1 mt -63.26 -47.32 82.88 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.634 -0.426 . . . . 72.120000000000005 111.828 -179.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -65.25 -24.42 67.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.222 0.534 . . . . 52.240000000000002 109.926 178.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.423 ' HB3' ' O ' ' A' ' 12' ' ' LEU . 31.6 t70 -73.05 -46.5 51.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.507 -0.769 . . . . 71.200000000000003 110.718 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -65.22 -33.67 76.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.729 -0.669 . . . . 55.200000000000003 110.015 178.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.597 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 121.27 36.2 0.76 Allowed Glycine 0 N--CA 1.439 -1.12 0 CA-C-N 115.312 -0.858 . . . . 65.040000000000006 112.005 -179.113 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 13' ' ' LEU . 4.0 t -110.0 145.42 37.01 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.43 -0.508 . . . . 74.310000000000002 110.794 174.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -133.5 -5.69 2.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.562 0.696 . . . . 70.010000000000005 110.116 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.486 ' OD1' ' HA ' ' A' ' 55' ' ' HIS . 14.0 t70 -106.16 88.28 2.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.625 -0.716 . . . . 64.510000000000005 110.41 -172.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.447 ' HE1' ' CD1' ' A' ' 10' ' ' TYR . 10.0 p90 -168.06 147.26 4.66 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.126 -0.943 . . . . 72.319999999999993 110.406 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.39 -171.74 34.56 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.712 -0.555 . . . . 63.240000000000002 111.712 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.2 p -126.21 147.07 49.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.839 0.32 . . . . 74.420000000000002 111.066 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.541 ' HG2' ' HB3' ' A' ' 51' ' ' SER . 41.0 pttt . . . . . 0 C--N 1.327 -0.405 0 CA-C-O 121.02 0.438 . . . . 51.530000000000001 109.932 173.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 . . . . . 0 N--CA 1.447 -0.584 0 N-CA-C 109.854 -0.424 . . . . 63.140000000000001 109.854 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -87.69 117.12 26.29 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 109.572 -0.529 . . . . 72.109999999999999 109.572 173.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.98 82.71 1.09 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 121.007 -0.616 . . . . 72.25 111.641 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.619 ' HE1' HG23 ' A' ' 67' ' ' VAL . 3.0 m-85 -78.58 139.24 38.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.668 0.271 . . . . 62.439999999999998 110.49 177.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.692 ' OG ' HD12 ' A' ' 58' ' ' ILE . 8.9 t -161.71 140.44 9.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.352 -0.386 . . . . 53.439999999999998 110.753 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.56 ' CG ' HD21 ' A' ' 78' ' ' LEU . 52.3 t80 -98.23 124.08 42.64 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 109.704 -0.48 . . . . 75.230000000000004 109.704 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -95.02 138.1 33.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.269 -0.878 . . . . 71.420000000000002 111.73 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.461 ' HB3' HG23 ' A' ' 59' ' ' VAL . 14.2 tpt180 -141.74 104.63 4.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.124 -0.944 . . . . 65.120000000000005 109.627 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.486 ' HA ' ' OD1' ' A' ' 20' ' ' ASP . 6.0 m-70 59.36 29.76 19.37 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.965 0.412 . . . . 61.340000000000003 111.163 -178.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.49 -3.37 86.62 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.73 -0.747 . . . . 71.299999999999997 112.41 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -97.58 175.7 6.11 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 109.273 -0.64 . . . . 75.310000000000002 109.273 177.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.692 HD12 ' OG ' ' A' ' 51' ' ' SER . 30.8 mm -116.37 121.28 67.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-O 121.403 0.62 . . . . 73.430000000000007 110.779 -178.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.63 HG11 HD13 ' A' ' 89' ' ' LEU . 89.6 t -101.68 -39.58 6.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.094 -0.957 . . . . 54.140000000000001 109.854 177.208 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.47 ' HB3' ' CB ' ' A' ' 52' ' ' PHE . . . -123.92 139.77 53.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.764 -0.653 . . . . 74.019999999999996 110.491 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -148.43 136.21 20.78 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.524 -0.547 . . . . 74.120000000000005 109.524 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -151.49 105.34 0.28 Allowed Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.607 -0.597 . . . . 64.109999999999999 111.607 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -93.56 120.6 34.03 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.888 -0.412 . . . . 73.239999999999995 109.888 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.538 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 62.2 m -150.57 155.05 38.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.207 0.527 . . . . 72.439999999999998 111.939 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -67.97 -23.61 65.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.445 -0.798 . . . . 65.450000000000003 110.533 175.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -105.14 126.83 52.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.62 -0.718 . . . . 63.439999999999998 110.576 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.619 HG23 ' HE1' ' A' ' 50' ' ' PHE . 7.2 p -56.76 -38.76 59.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 115.902 -0.59 . . . . 70.230000000000004 111.032 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.581 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . . . -70.25 -42.32 72.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.35 -0.386 . . . . 52.229999999999997 111.779 178.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -64.91 -45.82 84.29 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.989 0.423 . . . . 70.129999999999995 110.346 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.538 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -58.94 -43.54 91.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.969 0.89 . . . . 43.210000000000001 110.34 177.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.581 ' HE3' ' HA ' ' A' ' 68' ' ' ALA . 19.4 ttpp -62.43 -40.6 97.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.054 -1.43 . . . . 73.530000000000001 110.201 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -59.27 -48.81 80.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.993 -1.003 . . . . 65.319999999999993 110.837 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.0 mt -60.02 -49.73 82.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.865 -0.607 . . . . 72.010000000000005 110.897 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.494 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 56.0 ttp -50.93 -51.5 51.62 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.764 -0.653 . . . . 74.430000000000007 110.716 175.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.583 ' HA ' HG21 ' A' ' 5' ' ' ILE . 44.2 mttm -58.7 -49.19 78.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.604 -0.725 . . . . 52.32 111.539 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -59.2 -27.49 65.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.515 -0.311 . . . . 75.129999999999995 111.673 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 74' ' ' MET . 23.9 mmm180 -58.76 -66.29 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.425 -0.352 . . . . 74.230000000000004 111.1 176.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.738 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -67.01 -31.89 72.74 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 120.204 -0.598 . . . . 74.25 110.147 -179.269 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -51.31 -48.08 62.42 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.865 -0.607 . . . . 62.32 110.561 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 8.3 mmmt -70.38 -32.47 70.15 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.866 -0.334 . . . . 71.140000000000001 110.906 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.604 HD23 ' HB2' ' A' ' 89' ' ' LEU . 4.1 mp -64.85 -43.59 92.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.719 -0.219 . . . . 64.420000000000002 111.552 -178.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.56 HD21 HD11 ' A' ' 5' ' ' ILE . 1.2 pp -78.62 -19.21 53.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.814 0.34 . . . . 53.310000000000002 111.563 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -84.89 -41.3 16.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.032 0.444 . . . . 75.109999999999999 111.036 176.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.12 -11.87 48.79 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.685 -0.689 . . . . 75.209999999999994 110.132 -176.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp 64.07 39.04 8.07 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.545 -0.752 . . . . 74.319999999999993 111.505 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.4 m -79.72 134.56 36.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.331 -0.85 . . . . 75.019999999999996 109.888 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.436 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 3.9 p-10 -74.07 5.17 4.56 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.192 0.442 . . . . 72.209999999999994 112.192 -172.447 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.86 -43.86 87.16 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 121.12 -0.232 . . . . 75.420000000000002 111.044 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 78' ' ' LEU . 12.8 tp -100.46 -15.47 17.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.482 0.658 . . . . 71.209999999999994 110.774 174.151 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.457 HD11 ' HA ' ' A' ' 82' ' ' LEU . 13.9 mt -110.36 25.92 11.25 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 113.148 0.796 . . . . 74.200000000000003 113.148 -170.472 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.436 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 27.8 p90 -79.56 159.55 26.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.939 0.4 . . . . 71.540000000000006 111.41 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.2 p -88.69 147.14 24.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.954 -0.566 . . . . 63.020000000000003 110.431 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 22.1 p -141.37 -173.0 3.63 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.937 -0.574 . . . . 62.140000000000001 110.086 -175.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -112.95 65.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.589 0.233 . . . . 61.450000000000003 111.255 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.597 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 13.5 m . . . . . 0 N--CA 1.466 0.357 0 O-C-N 121.977 -0.452 . . . . 74.510000000000005 110.718 172.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.566 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER . . . . . 0 CA--C 1.537 0.443 0 CA-C-O 120.623 0.249 . . . . 73.430000000000007 110.552 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -64.93 -33.85 77.02 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.145 0.497 . . . . 55.32 109.981 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.596 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 1.3 t-80 -63.09 -46.29 88.08 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.122 -0.695 . . . . 74.409999999999997 109.122 176.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 59.5 mmtt -61.58 -52.23 65.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.624 -0.716 . . . . 63.119999999999997 111.246 -175.41 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.647 HG22 HD22 ' A' ' 13' ' ' LEU . 3.7 p -61.76 -41.14 89.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 71.209999999999994 111.89 -175.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.422 ' CD1' HG13 ' A' ' 9' ' ' VAL . 12.3 m-30 -71.5 -27.63 63.35 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.571 -0.452 . . . . 73.319999999999993 110.067 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 16.5 mm-40 -57.3 -54.46 46.53 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.866 -0.607 . . . . 61.409999999999997 111.312 -177.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.657 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -85.54 -41.43 15.3 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.671 -0.695 . . . . 73.140000000000001 111.108 -175.614 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.814 HD23 ' CD2' ' A' ' 21' ' ' PHE . 2.9 mp -51.84 -45.78 64.12 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.136 0.791 . . . . 71.120000000000005 113.136 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.515 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 18.2 pttm -66.16 -29.27 69.53 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.97 -0.381 . . . . 74.140000000000001 109.97 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -73.57 -41.67 62.62 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.399 0.619 . . . . 65.340000000000003 110.442 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.657 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 21.7 mt-30 -64.1 -9.55 17.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.999 -1.0 . . . . 44.210000000000001 110.784 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.665 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 92.47 33.65 7.44 Favored Glycine 0 N--CA 1.433 -1.514 0 CA-C-N 115.55 -0.75 . . . . 55.219999999999999 111.778 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.522 ' HB3' ' HE2' ' A' ' 21' ' ' PHE . 2.3 t -115.7 139.95 49.66 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 120.164 -0.614 . . . . 61.140000000000001 111.174 173.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.404 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -120.92 -8.69 9.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.154 0.502 . . . . 74.109999999999999 109.994 168.862 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.593 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 21.6 t0 -93.1 88.35 6.06 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.489 -0.778 . . . . 41.310000000000002 111.235 -173.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.814 ' CD2' HD23 ' A' ' 13' ' ' LEU . 6.2 p90 -168.1 165.49 13.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.776 -1.102 . . . . 73.150000000000006 111.122 177.204 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.65 -179.38 42.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.221 -0.514 . . . . 71.409999999999997 112.21 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.1 p -112.76 134.58 54.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.785 0.292 . . . . 65.310000000000002 110.949 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HG2' ' HB2' ' A' ' 51' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 109.876 -0.416 . . . . 73.530000000000001 109.876 177.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 . . . . . 0 N--CA 1.446 -0.637 0 CA-C-O 120.919 0.39 . . . . 73.239999999999995 110.463 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.543 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 4.9 m-30 -71.19 108.52 4.73 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.794 -0.639 . . . . 74.5 109.722 176.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.63 83.77 1.23 Allowed Glycine 0 N--CA 1.441 -0.971 0 C-N-CA 120.846 -0.693 . . . . 74.230000000000004 111.585 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.516 ' CE2' HG23 ' A' ' 67' ' ' VAL . 4.6 m-85 -86.38 131.07 34.29 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.007 0.432 . . . . 73.510000000000005 109.842 175.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.537 ' HB3' HD12 ' A' ' 58' ' ' ILE . 11.7 m -153.29 152.4 31.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.181 -0.463 . . . . 64.030000000000001 110.233 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.595 ' CG ' HD21 ' A' ' 78' ' ' LEU . 30.7 t80 -107.85 126.9 53.22 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.721 -0.474 . . . . 72.420000000000002 109.721 175.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -99.2 135.71 40.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.539 -0.755 . . . . 74.129999999999995 111.663 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.499 HH21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -140.81 104.52 4.71 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.331 -0.988 . . . . 74.329999999999998 108.331 175.78 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.593 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 10.6 m-70 63.79 33.35 12.88 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.156 -0.475 . . . . 73.430000000000007 111.689 -173.2 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.44 -4.96 57.87 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.572 -0.823 . . . . 24.030000000000001 112.416 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -88.71 173.38 8.62 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 109.484 -0.561 . . . . 72.230000000000004 109.484 176.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.537 HD12 ' HB3' ' A' ' 51' ' ' SER . 23.0 mm -109.99 117.19 54.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-O 121.447 0.641 . . . . 71.010000000000005 110.614 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.686 HG11 HD13 ' A' ' 89' ' ' LEU . 72.6 t -96.12 -38.66 8.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.112 -0.949 . . . . 73.049999999999997 109.831 176.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -128.34 142.59 51.08 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.709 -0.678 . . . . 63.119999999999997 110.452 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -145.29 138.76 26.61 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.676 -0.49 . . . . 61.030000000000001 109.676 175.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.69 107.35 0.27 Allowed Glycine 0 N--CA 1.44 -1.08 0 N-CA-C 111.507 -0.637 . . . . 52.25 111.507 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 7.6 ptpp? -101.88 144.29 30.72 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.375 -0.602 . . . . 72.540000000000006 109.375 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.3 t -159.91 162.09 34.44 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.846 -0.615 . . . . 74.099999999999994 109.767 -178.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -70.47 -20.12 62.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.642 0.258 . . . . 73.099999999999994 110.59 -178.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.441 ' HD3' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -118.01 144.91 45.16 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.14 -0.482 . . . . 62.25 110.566 -179.611 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.518 HG22 ' HE2' ' A' ' 71' ' ' LYS . 3.6 p -61.01 -45.11 99.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.618 -0.719 . . . . 71.239999999999995 111.731 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.77 97.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.723 0.297 . . . . 72.319999999999993 111.427 -177.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -66.75 -46.73 74.47 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.849 -0.426 . . . . 73.150000000000006 109.849 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.37 -49.52 76.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.774 -0.648 . . . . 32.420000000000002 111.438 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.518 ' HE2' HG22 ' A' ' 67' ' ' VAL . 56.6 mtmt -56.39 -43.95 79.76 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.082 0.468 . . . . 74.349999999999994 110.589 177.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -55.31 -46.4 76.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.386 -0.825 . . . . 73.129999999999995 111.148 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.425 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 35.5 mt -60.8 -53.72 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.64 -0.709 . . . . 73.099999999999994 111.579 -178.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.467 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.6 ptt? -62.61 -37.66 87.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.542 -0.299 . . . . 73.409999999999997 110.738 -177.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.566 ' HA ' HG21 ' A' ' 5' ' ' ILE . 60.9 mttm -57.45 -50.66 72.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.616 -0.265 . . . . 75.219999999999999 110.773 178.432 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -59.57 -24.53 63.81 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.212 -0.449 . . . . 73.310000000000002 111.406 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.511 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 14.6 mmt85 -62.23 -66.57 0.52 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.5 -0.318 . . . . 73.25 110.457 178.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.797 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -66.93 -31.96 72.9 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 120.64 -0.424 . . . . 74.099999999999994 110.221 -179.394 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -51.75 -45.0 63.52 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.813 -0.631 . . . . 71.310000000000002 110.526 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -75.22 -30.71 60.66 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.893 -0.323 . . . . 73.319999999999993 111.156 178.242 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 87.0 mt -66.14 -39.48 89.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.638 -0.255 . . . . 74.549999999999997 111.072 -177.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 5' ' ' ILE . 1.1 pp -80.82 -22.04 40.34 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.739 0.274 . . . . 70.030000000000001 111.739 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -82.13 -37.75 25.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.282 0.563 . . . . 71.510000000000005 110.623 176.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -83.83 -19.51 34.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.591 -0.731 . . . . 62.219999999999999 110.01 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.458 ' HA ' ' CD1' ' A' ' 90' ' ' LEU . 48.9 mmtm 65.43 46.61 2.5 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.191 -0.913 . . . . 72.400000000000006 109.665 -175.135 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 m -81.07 134.76 35.72 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.664 -1.153 . . . . 74.140000000000001 109.809 177.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -64.91 -10.81 31.62 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.234 0.457 . . . . 65.010000000000005 112.234 -176.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.481 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -57.13 -39.67 75.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.673 0.273 . . . . 71.530000000000001 111.478 -176.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.797 HD22 ' HB3' ' A' ' 78' ' ' LEU . 24.0 tp -107.86 -21.28 12.9 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.424 0.631 . . . . 71.239999999999995 110.596 177.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 85' ' ' LYS . 8.0 mt -109.51 24.35 13.19 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.503 -0.771 . . . . 63.240000000000002 112.225 -169.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -73.04 158.8 34.71 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.076 0.465 . . . . 75.439999999999998 110.943 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.9 m -83.82 140.99 31.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.337 -0.847 . . . . 64.209999999999994 110.551 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.6 p -145.3 163.31 34.89 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.622 -0.717 . . . . 62.020000000000003 109.427 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -106.74 70.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.507 -0.477 . . . . 74.140000000000001 111.376 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.665 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 40.8 m . . . . . 0 C--N 1.332 -0.179 0 C-N-CA 119.937 -0.705 . . . . 74.109999999999999 110.237 170.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.603 HD11 HD21 ' A' ' 82' ' ' LEU . 4.0 tp . . . . . 0 N--CA 1.456 -0.167 0 N-CA-C 112.027 0.38 . . . . 71.319999999999993 112.027 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.598 ' O ' ' HD1' ' A' ' 10' ' ' TYR . 41.4 mt-10 -65.81 -43.0 89.94 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 109.043 -0.725 . . . . 61.350000000000001 109.043 -177.137 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.441 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 68.5 m80 -57.05 -43.94 82.5 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.561 -0.745 . . . . 72.530000000000001 110.201 175.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -62.35 -51.16 68.73 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.172 -0.467 . . . . 60.409999999999997 110.218 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.652 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 57.1 t -48.67 -52.69 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 O-C-N 123.891 0.744 . . . . 62.32 111.295 178.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.598 ' HD1' ' O ' ' A' ' 6' ' ' GLU . 27.1 m-85 -64.06 -45.15 90.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.579 -0.282 . . . . 63.140000000000001 110.465 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 22.1 mm-40 -50.88 -39.52 54.17 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.836 0.68 . . . . 73.109999999999999 112.836 -174.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.58 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -100.63 -48.1 4.63 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.505 -0.478 . . . . 62.509999999999998 112.226 -179.124 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.815 HD13 HH11 ' A' ' 54' ' ' ARG . 25.6 mt -59.31 -44.03 92.59 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.256 0.465 . . . . 73.010000000000005 112.256 -173.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.647 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 18.9 pttp -65.42 -28.04 68.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.295 0.569 . . . . 65.340000000000003 109.942 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.52 -13.27 43.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.462 -0.79 . . . . 75.200000000000003 111.074 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 36.0 mt-30 -82.15 -28.55 32.07 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.595 0.712 . . . . 74.140000000000001 109.422 173.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.553 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 116.35 29.98 2.18 Favored Glycine 0 N--CA 1.437 -1.257 0 CA-C-N 114.976 -1.011 . . . . 41.310000000000002 111.515 -174.403 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.647 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 4.3 t -121.45 134.24 55.08 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.721 -0.391 . . . . 63.25 110.021 173.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.22 -1.9 9.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.556 0.693 . . . . 64.109999999999999 109.841 170.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -94.88 84.17 4.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.193 -0.912 . . . . 61.329999999999998 110.738 -173.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 6.7 p90 -165.2 161.77 19.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.508 -0.769 . . . . 72.120000000000005 111.217 176.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.3 -176.96 45.82 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.877 -0.601 . . . . 42.43 111.812 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.2 p -123.5 144.81 49.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.07 0.435 . . . . 74.219999999999999 111.035 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.1 pttt . . . . . 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 74.319999999999993 110.433 176.099 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 . . . . . 0 N--CA 1.448 -0.547 0 CA-C-O 121.457 0.646 . . . . 74.310000000000002 111.655 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -83.48 108.85 16.89 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.732 -1.122 . . . . 73.109999999999999 110.236 176.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.56 72.54 2.72 Favored Glycine 0 N--CA 1.442 -0.945 0 C-N-CA 120.807 -0.711 . . . . 73.319999999999993 111.505 176.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.531 ' HE2' HG23 ' A' ' 67' ' ' VAL . 2.1 m-85 -69.25 121.27 16.48 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.496 -0.557 . . . . 74.439999999999998 109.496 176.083 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.697 ' OG ' HD12 ' A' ' 58' ' ' ILE . 7.4 t -142.46 142.8 32.37 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.313 -0.555 . . . . 53.340000000000003 110.87 -177.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.652 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 69.0 t80 -95.96 126.71 41.39 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.907 -0.588 . . . . 73.230000000000004 110.227 177.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -102.18 137.77 40.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.15 0.906 . . . . 75.019999999999996 111.209 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.815 HH11 HD13 ' A' ' 13' ' ' LEU . 13.0 ttt180 -149.57 126.7 11.31 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.335 -0.848 . . . . 73.540000000000006 109.359 171.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 53.93 32.53 15.44 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.423 0.527 . . . . 75.340000000000003 112.423 -175.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.22 9.75 81.04 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.657 -0.782 . . . . 72.430000000000007 112.754 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -111.87 174.24 5.97 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 109.587 -0.523 . . . . 44.240000000000002 109.587 176.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.697 HD12 ' OG ' ' A' ' 51' ' ' SER . 29.2 mm -108.53 116.82 52.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.604 -0.725 . . . . 73.099999999999994 110.486 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.58 HG11 HD13 ' A' ' 89' ' ' LEU . 60.5 t -93.8 -37.82 8.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.541 -0.754 . . . . 51.030000000000001 110.079 176.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -132.43 139.98 48.25 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.123 -0.49 . . . . 32.530000000000001 111.109 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.43 ' CE2' ' HB2' ' A' ' 63' ' ' LYS . 54.4 t80 -139.21 135.53 34.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.901 0.381 . . . . 53.200000000000003 110.11 172.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -146.57 109.94 0.51 Allowed Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.861 -0.609 . . . . 73.129999999999995 111.606 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.43 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 38.7 ttmt -103.56 118.12 35.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.547 0.213 . . . . 50.549999999999997 110.487 -177.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.6 t -149.71 168.8 22.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.94 0.4 . . . . 51.32 110.795 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.401 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 8.6 ptp85 -86.13 -9.68 56.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.871 -0.604 . . . . 71.549999999999997 110.234 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.603 ' HB2' ' HB3' ' A' ' 69' ' ' ASN . 19.9 mmtm -107.1 129.26 54.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.826 -0.624 . . . . 72.099999999999994 109.32 176.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.564 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 7.9 p -54.83 -43.47 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.027 0.441 . . . . 75.340000000000003 110.644 176.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.479 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . . . -74.34 -34.42 63.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.943 -0.571 . . . . 53.240000000000002 112.162 -178.454 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.603 ' HB3' ' HB2' ' A' ' 66' ' ' LYS . 3.0 t-20 -73.4 -45.76 52.79 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.771 0.319 . . . . 75.109999999999999 110.161 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.44 ' HA ' HD12 ' A' ' 73' ' ' ILE . . . -57.5 -47.12 82.8 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.856 0.836 . . . . 62.299999999999997 109.923 175.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.564 ' HB2' ' O ' ' A' ' 67' ' ' VAL . 23.1 ttpt -59.36 -41.39 89.14 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.008 -1.451 . . . . 71.209999999999994 110.147 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.443 ' HB3' ' O ' ' A' ' 69' ' ' ASN . 53.4 t80 -59.07 -47.68 84.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.622 -0.717 . . . . 74.200000000000003 111.27 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 70' ' ' ALA . 45.6 mt -58.54 -53.14 50.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.948 -0.569 . . . . 72.109999999999999 111.16 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.2 ptt? -61.43 -36.89 81.64 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.793 -0.363 . . . . 62.43 110.218 178.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.579 ' HG2' ' CG2' ' A' ' 5' ' ' ILE . 79.2 mttt -55.99 -50.62 70.34 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-O 120.367 0.127 . . . . 72.109999999999999 110.813 176.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -57.38 -28.79 63.52 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.162 -0.472 . . . . 71.400000000000006 111.665 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.553 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 36.5 mmt180 -60.67 -64.99 0.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.385 -0.37 . . . . 73.299999999999997 110.484 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.716 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -67.36 -32.12 72.83 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.663 -0.415 . . . . 63.219999999999999 110.67 179.523 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 3.2 tm? -53.48 -51.3 63.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.149 -0.478 . . . . 73.120000000000005 109.879 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -65.63 -31.37 72.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.232 -0.44 . . . . 65.239999999999995 110.791 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 89.8 mt -68.29 -38.17 81.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.649 -0.25 . . . . 75.349999999999994 111.065 -177.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.603 HD21 HD11 ' A' ' 5' ' ' ILE . 1.4 pp -81.06 -35.27 31.98 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.797 -0.361 . . . . 72.129999999999995 111.127 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -67.32 -37.09 82.75 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.385 0.612 . . . . 72.319999999999993 110.796 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -89.15 -17.23 29.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.466 -0.788 . . . . 70.430000000000007 110.166 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 63.39 48.97 3.34 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.209 -0.905 . . . . 64.420000000000002 110.511 -177.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.3 m -88.16 144.2 26.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.917 -1.038 . . . . 72.439999999999998 110.529 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.585 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 2.9 p-10 -77.87 7.52 5.83 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.459 0.54 . . . . 74.129999999999995 112.459 -173.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.71 -37.87 73.59 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 121.054 -0.258 . . . . 74.430000000000007 111.252 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.716 HD22 ' HB3' ' A' ' 78' ' ' LEU . 14.0 tp -109.29 -25.79 10.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.398 0.618 . . . . 73.040000000000006 110.283 177.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.515 HD11 ' HA ' ' A' ' 82' ' ' LEU . 5.6 mt -105.01 24.78 11.41 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.478 -0.783 . . . . 64.329999999999998 112.122 -170.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.585 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 43.2 p90 -73.65 164.48 26.59 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.227 0.537 . . . . 64.409999999999997 111.654 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.3 m -85.32 134.06 34.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.531 -0.758 . . . . 63.299999999999997 110.069 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.1 p -137.33 179.43 6.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.848 -0.615 . . . . 71.549999999999997 110.288 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -113.87 76.61 0.99 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.914 0.387 . . . . 53.039999999999999 111.128 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.553 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 65.0 m . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 121.287 0.565 . . . . 70.230000000000004 109.616 164.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.611 ' O ' HG23 ' A' ' 9' ' ' VAL . 6.1 tp . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 111.691 0.256 . . . . 65.450000000000003 111.691 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.64 -45.84 88.4 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.502 -0.555 . . . . 64.519999999999996 109.502 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.673 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 56.4 m80 -54.3 -45.99 72.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.892 -0.594 . . . . 74.349999999999994 110.341 174.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -61.0 -52.64 64.16 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.225 0.328 . . . . 75.420000000000002 110.484 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.675 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 59.9 t -53.12 -44.73 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 115.724 -0.671 . . . . 72.140000000000001 110.836 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.595 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 11.8 m-30 -65.33 -46.95 78.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.679 -0.489 . . . . 75.530000000000001 109.679 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.673 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 22.2 mm-40 -48.79 -53.8 17.69 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.759 0.662 . . . . 64.409999999999997 112.637 -173.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.539 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -85.02 -40.77 16.47 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.009 -0.541 . . . . 71.439999999999998 111.832 -174.68 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.522 ' H ' HD12 ' A' ' 12' ' ' LEU . 21.9 mt -63.86 -47.08 82.12 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.194 0.442 . . . . 70.200000000000003 112.194 -177.246 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 20.4 pttp -68.54 -17.29 64.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.171 0.51 . . . . 71.230000000000004 109.86 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 12' ' ' LEU . 17.5 t70 -77.52 -46.81 21.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.484 -0.78 . . . . 71.420000000000002 110.713 175.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.539 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 13.8 mt-30 -62.37 -31.15 71.76 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.711 -0.677 . . . . 72.439999999999998 110.224 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.621 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 119.29 36.18 0.88 Allowed Glycine 0 N--CA 1.437 -1.256 0 CA-C-N 114.999 -1.001 . . . . 10.43 111.622 -177.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 6.7 t -119.82 127.44 52.78 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.672 -0.411 . . . . 64.430000000000007 110.834 175.369 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -137.08 69.61 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.691 0.757 . . . . 61.130000000000003 109.494 166.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -153.01 80.83 1.2 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.608 -1.178 . . . . 62.200000000000003 108.13 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.443 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 3.8 p90 -165.54 161.54 18.6 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.942 -1.027 . . . . 63.549999999999997 110.328 -177.194 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.66 -172.23 45.19 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.381 -0.687 . . . . 55.200000000000003 111.381 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.4 p -125.38 144.01 50.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.974 0.387 . . . . 74.230000000000004 111.286 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.58 0 CA-C-O 121.392 0.615 . . . . 65.109999999999999 110.245 171.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.498 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 19.7 m-85 . . . . . 0 N--CA 1.447 -0.593 0 CA-C-O 120.959 0.409 . . . . 74.239999999999995 110.617 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.496 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 5.0 m-30 -74.72 109.06 7.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.573 -0.74 . . . . 74.209999999999994 110.042 176.159 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.59 71.46 2.99 Favored Glycine 0 N--CA 1.441 -1.022 0 N-CA-C 111.12 -0.792 . . . . 61.340000000000003 111.12 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.554 ' HE2' HG23 ' A' ' 67' ' ' VAL . 1.8 m-85 -65.76 135.91 55.53 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.902 -0.407 . . . . 71.439999999999998 109.902 177.17 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.508 ' HB2' HD12 ' A' ' 58' ' ' ILE . 6.9 p -157.31 149.27 22.5 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.067 0.46 . . . . 60.439999999999998 111.463 -178.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.675 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 38.8 t80 -106.64 121.28 44.02 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.539 -0.755 . . . . 71.439999999999998 109.736 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -91.04 143.72 26.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.464 -0.789 . . . . 64.140000000000001 111.258 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.526 ' HB3' HG23 ' A' ' 59' ' ' VAL . 14.0 tpt180 -148.01 104.46 3.56 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.085 -0.961 . . . . 72.519999999999996 110.018 -178.064 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 59.96 28.38 17.89 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.238 0.336 . . . . 63.329999999999998 111.483 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.88 -3.21 84.73 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.922 -0.656 . . . . 74.129999999999995 112.395 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -101.62 175.88 5.41 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.798 -0.445 . . . . 62.009999999999998 109.798 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.508 HD12 ' HB2' ' A' ' 51' ' ' SER . 22.3 mm -113.61 118.82 59.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.765 -0.652 . . . . 74.530000000000001 110.789 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.58 HG11 HD13 ' A' ' 89' ' ' LEU . 79.7 t -95.01 -38.93 9.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.717 -0.674 . . . . 62.409999999999997 109.798 176.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.42 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -128.96 140.68 51.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.966 -0.561 . . . . 40.340000000000003 110.748 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.487 ' CD2' ' HB3' ' A' ' 51' ' ' SER . 42.9 t80 -147.74 136.03 21.48 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.746 -0.464 . . . . 74.120000000000005 109.746 173.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.406 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -151.37 96.86 0.17 Allowed Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 111.571 -0.612 . . . . 55.530000000000001 111.571 177.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.498 ' HG3' ' HB3' ' A' ' 47' ' ' TYR . 29.5 ttpt -86.59 115.47 24.08 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 120.777 0.322 . . . . 72.519999999999996 110.952 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.49 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 37.5 t -147.69 152.84 38.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.16 -0.473 . . . . 65.099999999999994 110.738 -177.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -70.35 -28.74 65.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.382 0.61 . . . . 62.009999999999998 110.168 -179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.577 ' HE3' ' HB3' ' A' ' 68' ' ' ALA . 44.3 tttp -93.11 122.27 35.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.334 -0.848 . . . . 73.530000000000001 109.451 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.554 HG23 ' HE2' ' A' ' 50' ' ' PHE . 15.0 p -55.2 -39.48 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.785 0.326 . . . . 75.230000000000004 110.596 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.577 ' HB3' ' HE3' ' A' ' 66' ' ' LYS . . . -69.52 -35.49 75.55 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.315 -0.402 . . . . 53.310000000000002 111.859 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.441 ' HB2' ' HD3' ' A' ' 66' ' ' LYS . 17.9 t-20 -77.32 -40.72 43.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.77 0.319 . . . . 71.150000000000006 110.14 -177.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 64' ' ' SER . . . -58.67 -46.18 87.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.926 -0.579 . . . . 74.400000000000006 110.525 174.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.569 ' CE ' ' HA ' ' A' ' 68' ' ' ALA . 50.1 mtmt -56.11 -47.73 77.53 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.769 -0.65 . . . . 74.409999999999997 110.168 173.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -54.77 -47.35 74.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.167 -0.924 . . . . 74.439999999999998 111.528 -175.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.457 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 37.1 mt -59.7 -55.48 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.769 -0.65 . . . . 74.030000000000001 111.407 -179.064 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.487 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.4 ptt? -62.27 -39.01 91.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.541 -0.3 . . . . 74.200000000000003 110.666 -178.265 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.546 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 54.6 mttm -55.62 -50.92 68.88 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 120.629 0.252 . . . . 44.350000000000001 110.36 178.469 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -63.35 -20.29 65.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.909 -0.587 . . . . 71.329999999999998 111.65 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 14.0 mmt85 -66.98 -65.87 0.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.515 -0.311 . . . . 72.310000000000002 110.659 178.126 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.622 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -65.92 -30.18 70.72 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.282 -0.567 . . . . 62.020000000000003 110.68 179.059 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.466 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 3.0 tm? -54.77 -49.7 70.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 73.140000000000001 109.951 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -64.84 -30.13 71.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.48 -0.327 . . . . 55.210000000000001 111.112 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.576 HD23 ' HB2' ' A' ' 89' ' ' LEU . 5.6 mp -69.22 -35.83 76.59 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.462 -0.335 . . . . 72.129999999999995 111.401 -179.183 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.554 HD21 HD11 ' A' ' 5' ' ' ILE . 1.5 pp -86.13 -22.48 27.04 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.83 -0.348 . . . . 73.230000000000004 111.373 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 79' ' ' LEU . 7.8 mm-40 -78.31 -40.37 36.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.269 0.557 . . . . 54.409999999999997 110.357 176.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -91.99 -16.29 26.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.657 -0.701 . . . . 75.099999999999994 110.49 -177.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 64.88 44.86 3.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.254 -0.885 . . . . 74.049999999999997 110.935 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.8 m -80.0 134.86 36.27 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.084 -0.962 . . . . 71.409999999999997 109.943 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -67.0 -3.35 6.93 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.78 0.659 . . . . 72.340000000000003 112.78 -173.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.413 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -63.38 -40.57 97.59 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 121.056 -0.257 . . . . 62.299999999999997 111.193 -176.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.622 HD22 ' HB3' ' A' ' 78' ' ' LEU . 12.2 tp -102.55 -13.59 17.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.511 0.672 . . . . 63.32 110.688 175.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.0 mt -113.67 21.1 15.35 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 112.881 0.696 . . . . 75.439999999999998 112.881 -170.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -70.1 160.81 31.34 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.069 0.461 . . . . 50.130000000000003 111.628 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.2 m -84.78 147.18 26.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.654 -0.703 . . . . 74.439999999999998 110.32 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.4 p -148.7 -178.85 6.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.284 -0.416 . . . . 43.399999999999999 110.586 -175.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -108.96 77.42 1.07 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.299 -0.409 . . . . 64.400000000000006 110.839 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.621 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 25.6 m . . . . . 0 C--N 1.329 -0.304 0 C-N-CA 120.268 -0.573 . . . . 71.319999999999993 110.978 166.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.208 0 CA-C-O 121.209 0.528 . . . . 64.310000000000002 110.4 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -62.89 -36.0 81.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.607 -0.724 . . . . 72.400000000000006 110.001 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.53 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 39.0 m170 -68.03 -40.21 82.95 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.357 -0.383 . . . . 73.25 110.192 177.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -62.47 -48.33 80.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 72.140000000000001 110.698 -178.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.4 HG22 HD12 ' A' ' 13' ' ' LEU . 13.0 p -63.98 -35.86 74.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 65.010000000000005 111.084 -177.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -65.96 -40.27 91.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.64 -0.504 . . . . 75.319999999999993 109.64 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 70.9 mm-40 -56.48 -50.6 71.29 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.676 -0.693 . . . . 63.5 112.566 -170.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.424 ' H ' ' HG ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -87.28 -36.94 17.62 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.298 -0.41 . . . . 61.420000000000002 111.724 -174.551 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.4 HD12 HG22 ' A' ' 9' ' ' VAL . 23.5 mt -64.58 -44.49 90.49 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 111.9 0.333 . . . . 54.32 111.9 -178.325 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -21.64 63.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.069 0.461 . . . . 73.129999999999995 110.215 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -72.46 -45.61 58.75 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.797 -0.638 . . . . 74.25 110.28 175.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -66.82 -22.04 66.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.472 -0.785 . . . . 55.350000000000001 109.917 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.555 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 105.36 37.11 2.71 Favored Glycine 0 N--CA 1.438 -1.169 0 CA-C-N 115.395 -0.82 . . . . 54.439999999999998 112.339 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.6 t -109.95 138.64 46.04 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.427 -0.509 . . . . 73.439999999999998 110.07 173.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.422 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.1 OUTLIER -122.49 -0.18 9.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.062 0.458 . . . . 73.329999999999998 110.338 172.47 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.572 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 24.3 t70 -105.69 84.13 2.03 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.861 -0.608 . . . . 62.119999999999997 111.4 -171.007 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -166.4 150.55 7.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.279 -0.873 . . . . 73.230000000000004 110.644 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.56 177.84 43.5 Favored Glycine 0 C--O 1.228 -0.24 0 C-N-CA 121.202 -0.523 . . . . 54.020000000000003 112.145 -179.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.8 p -105.79 152.68 22.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.88 0.34 . . . . 65.349999999999994 111.344 -178.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.72 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 20.5 ptmt . . . . . 0 C--N 1.325 -0.463 0 CA-C-O 120.859 0.361 . . . . 70.430000000000007 110.466 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 N--CA 1.45 -0.452 0 CA-C-O 120.896 0.379 . . . . 63.329999999999998 110.324 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -83.12 103.55 12.63 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.803 -0.635 . . . . 75.420000000000002 110.019 175.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.77 78.31 1.92 Allowed Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.821 -0.627 . . . . 73.150000000000006 111.876 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.563 ' CE2' HG23 ' A' ' 67' ' ' VAL . 7.0 m-85 -69.5 140.89 54.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.581 0.229 . . . . 63.539999999999999 110.403 178.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.574 ' HB3' HD12 ' A' ' 58' ' ' ILE . 5.0 m -155.28 158.73 39.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.845 0.355 . . . . 62.539999999999999 110.81 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.597 ' CG ' HD21 ' A' ' 78' ' ' LEU . 42.8 t80 -116.53 126.61 53.58 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.721 -0.474 . . . . 71.519999999999996 109.721 174.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.72 ' CE2' ' HD2' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -92.37 142.82 27.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.168 -0.924 . . . . 74.129999999999995 111.957 -176.35 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.524 ' HB3' HG23 ' A' ' 59' ' ' VAL . 12.4 tpt180 -147.87 107.18 3.9 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.949 -1.023 . . . . 74.340000000000003 109.553 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.572 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 5.0 m-70 59.32 27.03 16.0 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 111.905 0.335 . . . . 73.150000000000006 111.905 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.8 -1.6 85.38 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.228 -0.987 . . . . 73.530000000000001 112.418 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -105.23 174.0 6.06 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.353 -0.61 . . . . 74.439999999999998 109.353 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.574 HD12 ' HB3' ' A' ' 51' ' ' SER . 14.2 mm -109.11 125.63 66.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 116.071 -0.513 . . . . 63.039999999999999 110.393 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.632 HG11 HD13 ' A' ' 89' ' ' LEU . 75.2 t -101.38 -45.06 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.957 -0.565 . . . . 74.099999999999994 110.009 175.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.67 140.74 48.91 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.098 -0.501 . . . . 74.340000000000003 110.478 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.488 ' HD1' ' HG ' ' A' ' 51' ' ' SER . 72.9 t80 -144.68 135.5 24.81 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.596 -0.52 . . . . 73.219999999999999 109.596 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.419 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -156.6 97.33 0.16 Allowed Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 111.497 -0.641 . . . . 62.43 111.497 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -97.65 124.7 42.04 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.565 0.221 . . . . 62.32 110.695 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.0 t -148.73 162.72 39.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.25 -0.432 . . . . 60.409999999999997 110.077 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -73.33 -14.95 61.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.011 0.434 . . . . 43.130000000000003 110.212 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' A' ' 66' ' ' LYS . 22.9 ttmm -114.37 129.61 56.65 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.044 -0.525 . . . . 63.439999999999998 110.481 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.563 HG23 ' CE2' ' A' ' 50' ' ' PHE . 4.2 p -55.41 -46.99 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 115.882 -0.599 . . . . 72.349999999999994 111.233 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.73 97.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 75.010000000000005 111.868 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 72' ' ' TYR . 65.9 t30 -70.51 -48.91 53.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.959 0.409 . . . . 62.5 110.281 -178.157 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.548 ' HA ' HD12 ' A' ' 73' ' ' ILE . . . -54.28 -46.76 72.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.438 -0.801 . . . . 73.150000000000006 110.81 177.178 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.55 ' HG2' ' HE2' ' A' ' 75' ' ' LYS . 15.2 ttpt -63.64 -40.65 97.41 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.475 -1.238 . . . . 72.040000000000006 110.292 -179.42 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.474 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 34.8 t80 -55.6 -48.81 74.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.712 -0.676 . . . . 72.129999999999995 110.393 175.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.563 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 54.0 mt -56.38 -56.08 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.383 -0.826 . . . . 71.409999999999997 111.567 -177.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.9 ptt? -60.96 -39.96 91.51 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.624 -0.262 . . . . 65.299999999999997 110.936 -178.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.566 ' O ' HG13 ' A' ' 5' ' ' ILE . 49.6 mttm -60.56 -45.9 92.22 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.865 0.364 . . . . 73.219999999999999 110.705 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 15.4 mm100 -60.99 -24.18 65.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.061 -0.518 . . . . 74.129999999999995 111.006 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 10.1 mmt180 -66.46 -64.66 0.81 Allowed 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.279 -0.419 . . . . 70.430000000000007 111.037 -178.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.655 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -62.12 -34.09 75.69 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 119.891 -0.724 . . . . 55.219999999999999 110.084 179.209 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.594 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 10.2 tp -52.74 -58.89 5.38 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.156 0.503 . . . . 73.409999999999997 110.677 177.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -58.98 -28.98 66.85 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.636 -0.711 . . . . 74.319999999999993 110.336 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 91.8 mt -70.94 -39.74 72.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.479 -0.328 . . . . 74.25 110.938 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 79' ' ' LEU . 1.3 pp -81.13 -21.98 39.41 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.698 0.285 . . . . 75.439999999999998 111.142 178.546 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -79.55 -38.02 35.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.152 0.501 . . . . 51.340000000000003 110.739 173.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -88.32 -18.64 28.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.851 -0.613 . . . . 72.409999999999997 110.197 -176.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.407 ' HA ' ' CD1' ' A' ' 90' ' ' LEU . 3.1 mmmp? 65.03 37.53 6.73 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.359 -0.837 . . . . 75.120000000000005 110.276 -177.455 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.8 m -76.45 146.19 38.75 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.242 -0.89 . . . . 64.120000000000005 110.131 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.454 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 3.3 p-10 -75.62 -1.56 25.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.007 0.373 . . . . 54.43 112.007 -173.245 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -65.62 -38.86 90.61 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.706 0.262 . . . . 60.310000000000002 111.706 -175.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.655 HD22 ' HB3' ' A' ' 78' ' ' LEU . 9.7 tp -110.13 -17.62 13.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.47 0.652 . . . . 60.32 110.678 178.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.409 HD11 ' HA ' ' A' ' 82' ' ' LEU . 13.9 mt -108.92 15.52 23.38 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 112.711 0.634 . . . . 72.219999999999999 112.711 -170.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.454 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 31.9 p90 -67.54 156.83 35.77 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.937 0.398 . . . . 73.109999999999999 110.618 178.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.6 m -83.92 139.05 32.85 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.019 -0.537 . . . . 71.25 110.101 177.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.9 p -132.84 177.23 7.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.036 -0.529 . . . . 64.230000000000004 109.771 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -109.83 68.95 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.927 0.343 . . . . 71.219999999999999 111.927 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 68.3 m . . . . . 0 CA--C 1.533 0.303 0 C-N-CA 119.904 -0.719 . . . . 75.310000000000002 111.095 167.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.713 HD11 HD21 ' A' ' 82' ' ' LEU . 6.7 tp . . . . . 0 CA--C 1.519 -0.228 0 N-CA-C 109.685 -0.487 . . . . 71.430000000000007 109.685 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.63 -40.55 95.25 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.277 -0.874 . . . . 75.409999999999997 109.525 -178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.68 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 28.1 m80 -60.86 -49.9 75.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.944 -0.571 . . . . 73.109999999999999 110.185 174.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -58.57 -50.6 73.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 53.310000000000002 111.233 -175.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.587 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 7.2 p -63.1 -39.48 85.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.131 -0.486 . . . . 72.519999999999996 111.575 -176.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.412 ' CD1' HG13 ' A' ' 9' ' ' VAL . 12.5 m-30 -69.33 -32.76 72.07 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.408 -0.517 . . . . 71.5 109.756 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.68 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 26.6 mm-40 -57.75 -49.34 76.89 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.957 -0.565 . . . . 52.229999999999997 111.942 -175.033 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -89.22 -43.18 11.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.267 -0.424 . . . . 71.340000000000003 111.8 -175.808 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.497 ' H ' HD12 ' A' ' 12' ' ' LEU . 17.4 mt -60.27 -45.4 93.43 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.604 0.594 . . . . 75.530000000000001 112.604 -176.379 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.581 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 17.3 pttp -69.33 -24.47 63.92 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.663 -0.415 . . . . 73.530000000000001 110.19 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -75.47 -34.4 60.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.749 -0.66 . . . . 60.229999999999997 110.139 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 12.1 mt-30 -72.38 -9.73 58.89 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.481 -0.781 . . . . 74.319999999999993 110.511 177.416 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.504 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 95.95 27.7 10.04 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.658 -0.782 . . . . 72.239999999999995 111.951 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.581 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 5.8 t -107.88 140.33 41.16 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.573 -0.451 . . . . 75.409999999999997 110.127 174.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -126.47 -4.7 6.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.889 0.376 . . . . 70.319999999999993 111.118 173.462 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.425 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 18.8 t70 -97.79 85.85 3.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.131 0.491 . . . . 54.140000000000001 111.014 -174.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -169.22 172.98 6.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.352 -0.84 . . . . 71.540000000000006 110.344 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.31 164.4 14.58 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.026 -0.607 . . . . 73.510000000000005 112.004 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.6 p -94.89 136.82 34.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.888 0.344 . . . . 75.329999999999998 111.215 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.522 ' HE2' ' HB3' ' A' ' 51' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.775 0 N-CA-C 109.081 -0.711 . . . . 72.349999999999994 109.081 175.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 N--CA 1.447 -0.598 0 CA-C-O 120.877 0.37 . . . . 70.129999999999995 110.627 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.431 ' CE2' ' HB ' ' A' ' 67' ' ' VAL . 4.1 m-30 -83.56 104.17 13.47 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.967 -0.753 . . . . 73.319999999999993 108.967 173.353 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.35 76.81 1.78 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.743 -0.741 . . . . 63.210000000000001 111.876 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.604 ' CE2' HG23 ' A' ' 67' ' ' VAL . 4.4 m-85 -78.43 136.57 37.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.878 0.37 . . . . 65.310000000000002 110.337 177.284 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.586 ' OG ' HD12 ' A' ' 58' ' ' ILE . 31.8 t -164.02 153.87 14.6 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.141 -0.481 . . . . 63.299999999999997 110.111 -178.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.635 ' CG ' HD21 ' A' ' 78' ' ' LEU . 49.4 t80 -111.12 125.83 54.2 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.587 -0.278 . . . . 62.450000000000003 110.425 176.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.426 ' CZ ' HD11 ' A' ' 58' ' ' ILE . 9.2 m-85 -103.54 136.19 43.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.175 -0.921 . . . . 72.400000000000006 111.288 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -139.53 116.46 10.96 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.707 -0.849 . . . . 75.0 108.707 167.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.425 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 14.0 m-70 60.82 26.96 16.78 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.864 0.364 . . . . 50.020000000000003 111.498 -178.182 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.97 2.66 90.62 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.506 -0.855 . . . . 73.349999999999994 112.566 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -93.88 166.03 12.38 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 109.667 -0.494 . . . . 71.430000000000007 109.667 176.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.586 HD12 ' OG ' ' A' ' 51' ' ' SER . 32.2 mm -109.46 108.53 25.58 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-N 115.467 -0.788 . . . . 71.219999999999999 110.263 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.721 HG11 HD13 ' A' ' 89' ' ' LEU . 88.5 t -88.92 -35.1 7.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 CA-C-N 114.919 -1.037 . . . . 74.439999999999998 109.704 178.131 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -138.01 145.2 41.57 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.892 -0.595 . . . . 62.329999999999998 110.745 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -149.16 128.09 12.64 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.9 -0.407 . . . . 74.409999999999997 109.9 175.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.481 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -148.56 105.99 0.32 Allowed Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.79 -0.641 . . . . 70.549999999999997 111.601 179.139 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -106.56 123.91 48.81 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.171 0.51 . . . . 63.109999999999999 110.955 -177.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.3 m -151.32 166.21 31.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.056 -0.52 . . . . 71.25 110.296 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -35.62 73.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.454 0.645 . . . . 73.439999999999998 109.571 178.184 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -100.34 131.1 46.46 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.931 -1.032 . . . . 74.209999999999994 110.055 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.604 HG23 ' CE2' ' A' ' 50' ' ' PHE . 2.5 p -56.1 -41.8 70.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.821 -0.627 . . . . 74.040000000000006 111.478 -178.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.02 86.1 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.063 0.394 . . . . 64.120000000000005 112.063 -178.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.33 -46.11 35.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.968 0.413 . . . . 73.430000000000007 110.035 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.39 -47.56 78.69 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.486 -0.779 . . . . 64.109999999999999 111.037 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.522 ' HE2' HG22 ' A' ' 67' ' ' VAL . 48.4 mtmt -58.45 -46.32 86.8 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 116.082 -0.508 . . . . 75.129999999999995 110.601 176.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.417 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 27.5 t80 -52.12 -48.17 64.96 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.372 -0.831 . . . . 74.019999999999996 111.441 -175.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.481 ' HB ' ' HA3' ' A' ' 62' ' ' GLY . 33.3 mt -59.06 -52.68 57.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.613 -0.721 . . . . 71.510000000000005 111.257 -177.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.469 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.7 ptt? -66.37 -39.64 89.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 72.540000000000006 110.967 -177.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.53 ' HA ' HG21 ' A' ' 5' ' ' ILE . 54.7 mttm -57.4 -45.07 84.92 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 120.556 0.217 . . . . 74.109999999999999 110.983 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 86.7 mm-40 -59.54 -32.16 70.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 71.510000000000005 111.314 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 77' ' ' ARG . 18.6 mmm-85 -60.63 -67.26 0.41 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.974 -0.557 . . . . 74.540000000000006 111.552 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.818 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -62.81 -35.1 78.79 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.328 -0.549 . . . . 64.010000000000005 110.452 -178.802 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.585 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 13.2 tp -49.8 -60.01 3.3 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.14 0.495 . . . . 72.409999999999997 110.94 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -60.29 -26.53 66.58 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.49 -0.777 . . . . 72.099999999999994 111.02 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 96.2 mt -72.39 -38.22 68.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.292 -0.413 . . . . 70.129999999999995 110.786 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.713 HD21 HD11 ' A' ' 5' ' ' ILE . 2.5 pp -85.36 -25.73 26.91 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 121.079 -0.248 . . . . 74.340000000000003 111.078 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 79' ' ' LEU . 25.3 mm-40 -67.84 -49.21 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.188 0.518 . . . . 75.530000000000001 110.219 173.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -86.75 -13.81 44.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.585 -0.734 . . . . 63.140000000000001 110.594 -176.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 85' ' ' LYS . 13.6 mmmm 64.82 48.13 2.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.417 -0.81 . . . . 74.319999999999993 110.344 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.7 m -87.43 134.43 33.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.995 -1.002 . . . . 74.010000000000005 110.142 175.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 8.9 p30 -70.28 0.71 5.9 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.853 0.686 . . . . 51.520000000000003 112.853 -171.453 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.486 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.4 mm? -62.47 -35.66 80.02 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.886 -0.325 . . . . 44.43 111.215 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.818 HD22 ' HB3' ' A' ' 78' ' ' LEU . 17.5 tp -107.14 -16.06 14.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.262 0.554 . . . . 71.450000000000003 110.387 175.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.42 HD11 ' HA ' ' A' ' 82' ' ' LEU . 13.8 mt -114.64 18.05 16.88 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.558 -0.747 . . . . 74.329999999999998 112.666 -168.063 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.431 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 41.0 p90 -68.55 167.14 15.57 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.308 0.575 . . . . 64.25 111.772 -176.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.4 m -91.21 132.5 36.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.54 -0.754 . . . . 64.209999999999994 110.866 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.7 p -133.66 174.74 10.11 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.545 -0.752 . . . . 61.310000000000002 109.758 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -111.61 73.01 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.071 0.232 . . . . 72.420000000000002 111.371 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 58.9 m . . . . . 0 N--CA 1.455 -0.194 0 C-N-CA 119.998 -0.681 . . . . 55.119999999999997 110.572 167.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.688 HG22 ' OE1' ' A' ' 6' ' ' GLU . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.321 0 N-CA-C 111.652 0.241 . . . . 71.129999999999995 111.652 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.688 ' OE1' HG22 ' A' ' 5' ' ' ILE . 1.2 mp0 -65.56 -31.2 72.12 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.456 -0.572 . . . . 73.319999999999993 109.456 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.717 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 55.2 m80 -63.34 -47.8 80.66 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.748 -0.66 . . . . 73.450000000000003 109.84 173.154 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.557 ' HG2' ' HA ' ' A' ' 5' ' ' ILE . 60.4 mmtt -59.17 -49.69 76.88 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.039 -0.528 . . . . 73.150000000000006 111.394 -176.53 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.418 HG11 ' CE2' ' A' ' 52' ' ' PHE . 7.8 p -63.92 -34.08 66.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.956 -0.566 . . . . 73.030000000000001 111.292 -176.01 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.488 ' CD1' ' HE1' ' A' ' 21' ' ' PHE . 13.4 m-30 -71.99 -32.1 66.9 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.928 -0.397 . . . . 75.040000000000006 109.928 177.21 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.717 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 28.7 mm-40 -59.13 -51.29 70.64 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.032 -0.531 . . . . 71.0 111.837 -174.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.526 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -90.42 -40.14 12.23 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.964 -0.562 . . . . 70.019999999999996 112.122 -173.095 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.615 HD21 ' O ' ' A' ' 89' ' ' LEU . 19.6 mt -63.6 -44.2 94.7 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.256 0.465 . . . . 62.350000000000001 112.256 -176.026 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 49.2 pttt -67.25 -19.98 65.6 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.715 -0.394 . . . . 74.340000000000003 110.086 179.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -76.81 -45.07 30.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 75.430000000000007 110.258 176.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -64.43 -20.02 65.89 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.477 -0.783 . . . . 73.329999999999998 110.847 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.606 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 109.56 35.47 2.25 Favored Glycine 0 N--CA 1.438 -1.182 0 C-N-CA 120.653 -0.784 . . . . 64.200000000000003 111.939 -179.001 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.596 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.6 t -121.62 138.35 54.36 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.739 -0.384 . . . . 64.439999999999998 110.671 174.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.401 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.1 OUTLIER -124.85 -8.98 7.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.103 0.478 . . . . 74.540000000000006 109.898 167.666 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.628 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 18.1 t0 -87.34 81.43 7.89 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.605 0.717 . . . . 74.219999999999999 111.356 -177.22 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.488 ' HE1' ' CD1' ' A' ' 10' ' ' TYR . 13.2 p90 -164.29 154.87 14.99 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.733 -1.121 . . . . 73.25 109.903 175.417 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.95 -176.75 45.35 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.673 -0.775 . . . . 73.239999999999995 111.962 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.2 p -107.86 151.3 25.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.805 0.302 . . . . 70.519999999999996 111.257 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.796 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 17.2 ptmt . . . . . 0 C--N 1.325 -0.471 0 CA-C-O 120.994 0.426 . . . . 72.420000000000002 110.584 175.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 N--CA 1.445 -0.688 0 CA-C-O 121.148 0.499 . . . . 74.049999999999997 110.623 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 17.9 m-30 -77.08 106.88 9.06 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.268 -0.878 . . . . 75.349999999999994 110.173 178.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.4 72.31 2.83 Favored Glycine 0 N--CA 1.441 -0.984 0 C-N-CA 120.627 -0.796 . . . . 62.130000000000003 111.187 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.532 ' HE2' HG23 ' A' ' 67' ' ' VAL . 3.5 m-85 -64.29 134.98 55.76 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.607 -0.516 . . . . 75.519999999999996 109.607 177.424 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.552 ' HB3' HD12 ' A' ' 58' ' ' ILE . 6.2 m -152.01 161.54 42.48 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 120.777 0.322 . . . . 60.439999999999998 110.231 -178.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.55 ' CG ' HD21 ' A' ' 78' ' ' LEU . 34.0 t80 -117.22 127.37 54.03 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.273 -0.421 . . . . 74.140000000000001 110.023 175.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.796 ' CE2' ' HD2' ' A' ' 24' ' ' LYS . 0.8 OUTLIER -94.1 140.99 29.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.839 -1.073 . . . . 73.310000000000002 112.037 -176.663 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.47 ' HB3' HG23 ' A' ' 59' ' ' VAL . 16.4 tpt180 -146.16 106.21 4.01 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.982 -1.008 . . . . 61.049999999999997 109.295 177.14 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.628 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 7.9 m-70 59.41 28.51 17.89 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 111.973 0.36 . . . . 64.040000000000006 111.973 -178.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.58 1.34 85.67 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.414 -0.898 . . . . 54.020000000000003 112.464 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -102.72 172.78 6.65 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.416 -0.587 . . . . 62.509999999999998 109.416 176.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' A' ' 51' ' ' SER . 13.0 mm -112.65 113.57 44.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-N 116.001 -0.545 . . . . 71.430000000000007 110.292 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.654 HG11 HD13 ' A' ' 89' ' ' LEU . 78.7 t -91.45 -37.11 8.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.752 -0.658 . . . . 74.239999999999995 110.397 178.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -127.34 144.92 50.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.141 -0.481 . . . . 74.540000000000006 110.729 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.576 ' OH ' ' HE3' ' A' ' 63' ' ' LYS . 68.2 t80 -146.5 135.51 22.52 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.429 0.456 . . . . 71.299999999999997 110.165 177.626 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.416 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -156.3 107.74 0.34 Allowed Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.641 -0.583 . . . . 72.439999999999998 111.641 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.576 ' HE3' ' OH ' ' A' ' 61' ' ' TYR . 36.8 ttmt -101.05 126.17 47.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.844 0.354 . . . . 73.340000000000003 111.027 -178.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.498 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 62.2 m -156.03 161.15 40.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.937 -0.574 . . . . 53.219999999999999 110.04 176.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -87.36 -13.28 43.91 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.804 -0.813 . . . . 70.310000000000002 108.804 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.426 ' HB2' ' CB ' ' A' ' 69' ' ' ASN . 33.7 mmtp -92.01 116.96 29.37 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.91 -1.041 . . . . 72.310000000000002 108.43 171.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.631 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 14.9 p -57.09 -39.72 68.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.75 0.309 . . . . 60.219999999999999 110.579 -178.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.15 -39.0 75.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.473 -0.331 . . . . 64.530000000000001 111.199 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' CB ' ' HB2' ' A' ' 66' ' ' LYS . 6.2 t30 -68.3 -43.21 78.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.979 0.419 . . . . 71.140000000000001 109.917 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -59.99 -50.09 75.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.604 -0.725 . . . . 63.130000000000003 111.265 178.306 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.631 ' HG3' ' O ' ' A' ' 67' ' ' VAL . 46.5 mtmt -59.54 -40.58 87.7 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.118 -0.492 . . . . 62.350000000000001 110.163 177.175 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -55.94 -49.39 73.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.367 -0.833 . . . . 74.450000000000003 110.679 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.447 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 41.7 mt -58.0 -53.73 41.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.652 -0.703 . . . . 73.099999999999994 111.407 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.469 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 3.0 ptt? -63.53 -39.22 93.84 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.836 -0.346 . . . . 53.240000000000002 110.743 -177.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.576 ' HA ' HG21 ' A' ' 5' ' ' ILE . 59.6 mttm -60.37 -44.31 95.74 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.527 0.203 . . . . 72.530000000000001 110.845 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -64.73 -21.66 66.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.513 -0.312 . . . . 73.120000000000005 111.328 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 37.6 mmt180 -64.84 -63.86 1.01 Allowed 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.685 -0.234 . . . . 75.200000000000003 110.547 177.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.853 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -63.59 -33.62 76.02 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 120.365 -0.534 . . . . 72.019999999999996 110.234 178.863 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -50.57 -53.4 30.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.779 -0.646 . . . . 72.040000000000006 110.235 178.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -66.56 -27.99 68.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.456 -0.338 . . . . 61.130000000000003 111.237 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 91.3 mt -72.29 -41.05 67.08 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 121.193 -0.203 . . . . 71.140000000000001 111.113 -178.46 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.601 HD21 HD11 ' A' ' 5' ' ' ILE . 1.8 pp -79.11 -18.52 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.067 0.46 . . . . 61.109999999999999 110.994 178.446 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -79.75 -50.07 11.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.074 -0.512 . . . . 73.420000000000002 110.556 174.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -85.27 -13.07 50.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.604 -0.726 . . . . 73.310000000000002 110.434 -174.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.4 ' HA ' ' CD1' ' A' ' 90' ' ' LEU . 48.6 mmtm 67.61 40.21 2.59 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.359 -0.837 . . . . 70.439999999999998 111.442 177.36 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.9 m -81.0 140.42 35.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.544 -0.753 . . . . 42.109999999999999 109.777 177.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -68.33 -9.96 51.52 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.339 0.496 . . . . 75.019999999999996 112.339 -172.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.504 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -56.13 -38.18 70.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 111.977 0.362 . . . . 64.450000000000003 111.977 -175.246 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.853 HD22 ' HB3' ' A' ' 78' ' ' LEU . 27.2 tp -110.89 -13.12 14.18 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.435 0.636 . . . . 73.150000000000006 110.825 177.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 85' ' ' LYS . 16.6 mt -112.84 13.18 19.64 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 113.008 0.744 . . . . 71.049999999999997 113.008 -169.137 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -67.72 158.47 32.24 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.061 0.458 . . . . 74.140000000000001 110.79 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.0 t -90.98 145.98 24.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.769 -0.65 . . . . 64.450000000000003 109.7 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 19.5 p -142.49 178.66 7.45 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.685 -0.689 . . . . 70.329999999999998 109.346 -176.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -110.9 71.91 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.464 0.174 . . . . 71.420000000000002 111.064 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.606 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 24.3 m . . . . . 0 C--O 1.232 0.178 0 C-N-CA 120.325 -0.55 . . . . 71.430000000000007 110.183 169.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.577 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 111.751 0.278 . . . . 74.239999999999995 111.751 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -64.92 -41.87 95.18 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.702 -0.399 . . . . 62.439999999999998 110.252 -176.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -63.96 -34.65 78.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.141 -0.481 . . . . 75.340000000000003 109.845 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 59.2 mmtt -63.38 -50.37 70.16 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.775 -0.454 . . . . 72.349999999999994 109.775 177.186 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.726 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 47.5 t -55.14 -41.81 62.02 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 CA-C-N 115.833 -0.621 . . . . 71.209999999999994 110.618 179.153 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.558 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 11.0 m-30 -62.78 -52.01 64.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.157 -0.474 . . . . 73.310000000000002 109.772 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.476 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 63.8 mm-40 -49.48 -45.44 46.9 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 113.45 0.907 . . . . 61.5 113.45 -172.317 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.57 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -89.97 -43.98 10.19 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 112.111 0.411 . . . . 74.140000000000001 112.111 -175.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.57 ' H ' HD12 ' A' ' 12' ' ' LEU . 26.7 mt -65.01 -43.29 93.0 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.132 0.419 . . . . 65.340000000000003 112.132 -175.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.58 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 62.9 pttt -64.25 -23.65 67.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.276 0.56 . . . . 63.210000000000001 110.108 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -79.77 -41.8 25.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.564 -0.743 . . . . 73.340000000000003 110.808 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.402 HE21 ' HB3' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -65.2 -34.52 78.57 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.552 0.691 . . . . 72.010000000000005 109.842 179.101 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.59 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 126.37 39.9 0.39 Allowed Glycine 0 N--CA 1.435 -1.381 0 CA-C-N 115.084 -0.962 . . . . 71.400000000000006 112.05 -178.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.58 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.8 t -125.96 139.18 53.65 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.28 -0.568 . . . . 64.510000000000005 111.073 172.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -124.17 -6.63 7.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.512 0.672 . . . . 75.519999999999996 109.553 168.911 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.597 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 25.4 t70 -92.4 81.01 4.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.443 -0.799 . . . . 71.230000000000004 110.959 -174.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.591 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 18.3 p90 -166.65 160.03 14.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.265 -0.88 . . . . 75.310000000000002 110.65 177.311 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.44 167.53 32.6 Favored Glycine 0 CA--C 1.517 0.211 0 N-CA-C 111.71 -0.556 . . . . 42.140000000000001 111.71 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.5 p -94.01 151.02 19.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 117.057 0.429 . . . . 73.219999999999999 111.431 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.569 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.872 -0.604 . . . . 75.519999999999996 109.814 173.365 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 . . . . . 0 N--CA 1.447 -0.589 0 CA-C-O 120.941 0.4 . . . . 65.140000000000001 110.273 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.479 ' CE2' ' HB ' ' A' ' 67' ' ' VAL . 21.2 m-30 -80.54 110.09 15.68 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.818 -0.628 . . . . 64.120000000000005 110.097 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.5 72.34 2.85 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.916 -0.659 . . . . 72.430000000000007 111.852 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.579 ' CE2' HG23 ' A' ' 67' ' ' VAL . 12.3 m-85 -69.31 134.52 49.2 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.106 -0.331 . . . . 65.299999999999997 110.106 175.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.658 ' HG ' ' HD1' ' A' ' 61' ' ' TYR . 1.9 m -154.19 161.14 42.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.785 0.326 . . . . 62.450000000000003 110.687 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.726 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 32.0 t80 -116.67 123.79 48.14 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.147 -0.479 . . . . 74.510000000000005 110.111 173.328 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.569 ' CE1' ' HG2' ' A' ' 24' ' ' LYS . 5.3 m-85 -95.86 134.71 38.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.413 -0.812 . . . . 71.540000000000006 111.765 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.591 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -135.04 108.41 7.81 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.43 -0.804 . . . . 64.439999999999998 108.974 171.445 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.597 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 13.1 m-70 62.78 30.29 16.72 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.952 0.406 . . . . 73.239999999999995 111.845 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.92 -4.74 84.71 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.534 -0.841 . . . . 51.420000000000002 112.563 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -97.55 169.81 9.46 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.42 -0.585 . . . . 75.049999999999997 109.42 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.42 HD12 ' HB3' ' A' ' 51' ' ' SER . 20.7 mm -105.73 118.57 53.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.398 0.618 . . . . 71.25 110.944 -178.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.59 HG11 HD13 ' A' ' 89' ' ' LEU . 84.7 t -94.76 -41.68 12.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.407 -0.815 . . . . 63.119999999999997 109.891 176.118 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.522 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -129.71 148.34 51.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.939 -0.573 . . . . 23.309999999999999 111.138 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.658 ' HD1' ' HG ' ' A' ' 51' ' ' SER . 59.7 t80 -146.29 135.07 22.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.069 -0.514 . . . . 73.409999999999997 109.771 176.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -151.46 97.87 0.18 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.572 -0.611 . . . . 24.109999999999999 111.572 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 37.9 ttpt -98.55 123.93 43.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.698 0.285 . . . . 74.430000000000007 110.655 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.522 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 57.4 m -153.47 160.15 42.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.803 0.335 . . . . 74.129999999999995 110.769 178.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.469 ' HG3' ' HG2' ' A' ' 66' ' ' LYS . 6.9 ptp180 -78.11 -20.05 52.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.271 0.558 . . . . 73.129999999999995 109.587 176.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.608 ' HE2' ' HA ' ' A' ' 66' ' ' LYS . 9.8 mmpt? -102.56 122.78 45.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.47 -0.786 . . . . 73.310000000000002 108.988 175.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.579 HG23 ' CE2' ' A' ' 50' ' ' PHE . 3.9 p -55.81 -41.17 65.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 O-C-N 123.177 0.298 . . . . 73.299999999999997 111.262 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.9 97.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.322 -0.399 . . . . 64.430000000000007 111.116 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -68.87 -43.98 74.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 63.0 110.249 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.522 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -59.07 -49.36 78.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.63 -0.714 . . . . 72.319999999999993 111.197 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.516 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 49.1 mtmt -59.28 -42.7 91.89 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 115.982 -0.554 . . . . 63.32 110.12 177.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -55.5 -46.78 76.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.446 -0.797 . . . . 52.140000000000001 110.94 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.515 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 54.7 mt -60.37 -56.41 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.455 -0.793 . . . . 74.340000000000003 111.366 -177.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.546 ' SD ' ' HB3' ' A' ' 50' ' ' PHE . 3.4 ptt? -62.51 -39.81 94.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.315 -0.402 . . . . 75.0 110.898 -176.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.577 ' HA ' HG21 ' A' ' 5' ' ' ILE . 63.7 mttm -60.83 -45.87 92.79 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.51 0.195 . . . . 71.129999999999995 111.08 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.416 ' HA ' ' HB3' ' A' ' 79' ' ' LEU . 71.4 mm-40 -63.2 -22.02 66.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.422 -0.354 . . . . 62.009999999999998 111.594 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.535 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 21.7 mmm180 -65.06 -62.24 1.67 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.264 -0.273 . . . . 65.510000000000005 110.264 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.84 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -64.96 -33.58 76.38 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.606 -0.438 . . . . 63.039999999999999 110.68 177.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.416 ' HB3' ' HA ' ' A' ' 76' ' ' GLN . 3.1 tm? -52.77 -49.74 64.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.926 -0.579 . . . . 74.319999999999993 109.867 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -32.84 74.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.92 -0.582 . . . . 74.409999999999997 110.006 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 89.7 mt -69.94 -37.56 75.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.956 -0.566 . . . . 61.439999999999998 111.343 -176.279 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.528 HD21 HD11 ' A' ' 5' ' ' ILE . 1.5 pp -82.12 -24.62 35.03 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.945 -0.302 . . . . 63.329999999999998 111.414 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -68.75 -45.12 72.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.482 0.658 . . . . 75.120000000000005 110.237 173.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -89.93 -17.88 27.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.251 -0.886 . . . . 73.409999999999997 110.832 -174.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.45 ' HA ' ' CD1' ' A' ' 90' ' ' LEU . 14.6 mmmm 68.71 39.49 1.98 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.316 -0.856 . . . . 73.329999999999998 110.748 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.8 m -75.83 141.33 42.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.525 -0.761 . . . . 51.200000000000003 109.816 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 7.4 p30 -69.79 -6.25 30.96 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.216 0.45 . . . . 74.230000000000004 112.216 -174.055 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.445 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -60.39 -34.06 73.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.941 0.401 . . . . 71.150000000000006 111.394 -174.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.84 HD22 ' HB3' ' A' ' 78' ' ' LEU . 29.1 tp -109.65 -23.77 11.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.274 0.559 . . . . 75.430000000000007 110.438 175.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' A' ' 82' ' ' LEU . 7.5 mt -111.88 21.1 16.34 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.584 -0.735 . . . . 64.349999999999994 112.485 -166.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 28.5 p90 -67.73 159.13 30.78 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.149 0.499 . . . . 74.349999999999994 111.253 -178.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.8 p -85.71 131.68 34.28 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.442 -0.799 . . . . 71.540000000000006 111.38 -176.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 18.9 p -135.55 171.83 13.88 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.992 -1.004 . . . . 74.120000000000005 109.332 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -111.27 66.37 0.63 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.899 -0.321 . . . . 74.209999999999994 111.144 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.59 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 24.4 m . . . . . 0 CA--C 1.529 0.163 0 C-N-CA 120.201 -0.6 . . . . 55.350000000000001 110.598 172.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.579 ' SD ' ' HD2' ' A' ' 8' ' ' LYS . 65.6 mtt . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 109.448 -0.575 . . . . 71.209999999999994 109.448 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -133.17 122.5 24.11 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.414 0.524 . . . . 71.439999999999998 112.414 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.86 -117.82 4.87 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 115.033 0.773 . . . . 64.329999999999998 115.033 163.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.435 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 3.4 p30 -54.12 110.49 0.61 Allowed 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.752 1.019 . . . . 72.030000000000001 113.752 -168.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.601 HG21 ' HA ' ' A' ' 75' ' ' LYS . 5.0 tp -70.27 -34.61 59.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.053 -0.521 . . . . 73.239999999999995 110.769 -177.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.46 ' OE2' HG22 ' A' ' 5' ' ' ILE . 1.9 mp0 -59.52 -45.71 90.97 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 110.06 -0.348 . . . . 75.219999999999999 110.06 -176.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.595 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 27.3 m170 -61.12 -41.23 96.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.057 -0.519 . . . . 75.400000000000006 110.498 178.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.579 ' HD2' ' SD ' ' A' ' 1' ' ' MET . 30.7 mmtt -61.59 -50.02 74.28 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 109.652 -0.499 . . . . 62.420000000000002 109.652 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.768 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 58.0 t -52.29 -48.44 44.12 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 CA-C-N 115.733 -0.667 . . . . 64.430000000000007 110.68 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.591 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 13.4 m-30 -63.1 -48.24 79.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.024 -0.534 . . . . 71.409999999999997 109.734 -178.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 80.5 mm-40 -48.31 -45.81 35.52 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.917 0.71 . . . . 71.219999999999999 112.917 -173.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.513 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -92.5 -44.08 8.83 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.701 -0.4 . . . . 63.32 111.735 -177.311 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.56 HD22 ' NH2' ' A' ' 54' ' ' ARG . 16.0 mt -62.36 -46.09 90.22 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.783 0.66 . . . . 74.5 112.783 -175.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.659 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 20.3 pttp -65.31 -22.65 66.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.284 0.564 . . . . 64.0 109.839 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.58 -17.65 28.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.527 -0.761 . . . . 73.420000000000002 111.119 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 16.7 mt-30 -80.65 -9.7 59.77 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 121.551 0.691 . . . . 64.450000000000003 109.473 173.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.687 ' HA3' ' HD2' ' A' ' 96' ' ' LYS . . . 94.83 35.79 5.74 Favored Glycine 0 N--CA 1.435 -1.404 0 CA-C-N 115.124 -0.944 . . . . 61.210000000000001 111.315 -175.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.659 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 4.9 t -119.74 140.6 50.45 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.541 -0.464 . . . . 73.109999999999999 110.895 174.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.437 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -127.64 -6.32 5.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.114 0.483 . . . . 53.420000000000002 110.701 170.852 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -94.39 83.9 4.26 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.92 -0.582 . . . . 72.040000000000006 111.087 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.678 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 14.3 p90 -167.56 160.32 12.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.138 -0.937 . . . . 74.209999999999994 110.703 176.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.56 170.3 32.19 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.605 -0.598 . . . . 42.409999999999997 111.605 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.7 p -93.47 147.53 22.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.323 0.562 . . . . 72.209999999999994 111.358 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.495 ' HG3' ' HB2' ' A' ' 51' ' ' SER . 0.0 OUTLIER -116.04 143.3 45.65 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.876 -0.787 . . . . 74.310000000000002 108.876 173.304 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.5 m -130.92 90.84 2.96 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.981 0.42 . . . . 64.409999999999997 110.25 -178.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.5 p -112.68 143.17 22.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.029 -0.532 . . . . 73.319999999999993 109.707 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.8 mt -86.99 126.1 40.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-O 121.267 0.556 . . . . 53.240000000000002 110.943 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -110.6 92.92 4.23 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.152 -0.931 . . . . 74.230000000000004 109.043 175.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.74 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -76.17 134.93 39.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.332 -0.849 . . . . 74.420000000000002 110.546 -178.4 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.5 t -88.33 103.63 13.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.345 0.593 . . . . 74.409999999999997 109.601 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.911 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -82.63 90.72 6.85 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.679 0.752 . . . . 75.400000000000006 111.067 -175.67 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.7 t -93.58 2.26 56.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.358 -0.837 . . . . 22.239999999999998 108.968 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.1 m -90.04 127.69 36.12 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.935 -1.03 . . . . 65.010000000000005 110.55 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -87.53 -54.86 4.05 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.313 -0.625 . . . . 61.340000000000003 109.313 176.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -133.67 167.45 20.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.364 -0.834 . . . . 74.329999999999998 109.061 174.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.1 t -145.19 171.7 14.16 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.911 -0.316 . . . . 70.099999999999994 110.96 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.6 mt -105.72 -4.1 21.35 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.285 0.476 . . . . 71.420000000000002 112.285 -172.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.565 HD11 ' HB2' ' A' ' 42' ' ' LEU . 1.2 pt? -125.16 -176.19 3.5 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.801 -0.444 . . . . 60.030000000000001 109.801 177.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -48.74 -64.28 0.85 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.414 0.626 . . . . 74.120000000000005 110.974 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.9 161.92 36.12 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.153 -0.931 . . . . 70.129999999999995 109.112 175.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -54.86 96.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.692 0.62 . . . . 60.039999999999999 110.595 177.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.565 ' HB2' HD11 ' A' ' 38' ' ' LEU . 66.7 tp -34.5 -60.97 0.41 Allowed 'General case' 0 N--CA 1.465 0.288 0 O-C-N 124.681 1.238 . . . . 70.209999999999994 111.662 178.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -147.26 103.26 3.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.67 -0.695 . . . . 72.120000000000005 109.392 172.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.548 HD23 ' H ' ' A' ' 44' ' ' LEU . 2.5 pt? -97.87 -177.32 3.72 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.498 -0.556 . . . . 63.219999999999999 109.498 175.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.4 m -74.47 96.03 2.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.575 0.702 . . . . 51.219999999999999 110.299 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.74 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -105.98 156.95 17.88 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.125 -0.943 . . . . 75.439999999999998 110.469 -177.192 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -131.38 139.83 49.55 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.181 -0.463 . . . . 70.239999999999995 110.487 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.496 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 5.6 m-30 -81.06 107.25 13.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.017 -0.538 . . . . 74.510000000000005 110.034 178.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.74 77.1 2.15 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.762 -0.535 . . . . 71.409999999999997 111.762 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.544 ' HE2' HG23 ' A' ' 67' ' ' VAL . 6.7 m-85 -73.05 132.71 43.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.84 0.352 . . . . 74.120000000000005 110.098 176.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.495 ' HB2' ' HG3' ' A' ' 24' ' ' LYS . 9.0 m -149.46 153.81 37.85 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.502 -0.317 . . . . 74.200000000000003 110.332 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.768 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 37.1 t80 -110.33 124.75 52.26 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.908 -0.405 . . . . 73.219999999999999 109.908 174.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.477 ' CE1' ' HG2' ' A' ' 24' ' ' LYS . 3.5 m-85 -99.21 138.24 36.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.279 -0.873 . . . . 72.340000000000003 111.035 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.678 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -146.31 102.44 3.6 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.401 -0.963 . . . . 71.109999999999999 108.401 176.719 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 63.76 36.04 10.85 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.095 -0.502 . . . . 71.420000000000002 111.742 -173.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.28 -3.23 67.54 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.693 -0.765 . . . . 63.409999999999997 112.868 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -93.33 169.87 10.05 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.847 -0.427 . . . . 74.409999999999997 109.847 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.4 mm -108.07 111.9 37.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 115.556 -0.747 . . . . 72.239999999999995 110.162 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.652 HG11 HD13 ' A' ' 89' ' ' LEU . 93.7 t -91.68 -37.51 9.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 114.932 -1.031 . . . . 70.049999999999997 109.927 177.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.62 142.92 47.04 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.75 -0.659 . . . . 50.049999999999997 110.763 -178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -142.47 133.17 25.39 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.645 -0.502 . . . . 73.209999999999994 109.645 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.88 95.23 0.14 Allowed Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 111.713 -0.555 . . . . 71.510000000000005 111.713 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 33.5 ttpt -97.6 125.56 42.4 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 120.952 0.406 . . . . 54.520000000000003 110.833 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.0 m -151.57 160.57 43.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.151 -0.477 . . . . 71.120000000000005 110.476 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -74.59 -26.6 60.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.563 0.697 . . . . 73.310000000000002 109.209 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -96.75 124.27 40.68 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.787 -1.097 . . . . 62.409999999999997 109.564 177.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.544 HG23 ' HE2' ' A' ' 50' ' ' PHE . 11.6 p -55.51 -40.4 58.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.856 0.36 . . . . 51.299999999999997 110.893 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.69 94.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 35.240000000000002 111.644 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -68.51 -42.69 78.19 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.638 -0.504 . . . . 70.430000000000007 109.638 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.73 -48.9 78.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.782 -0.644 . . . . 71.310000000000002 110.915 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -60.68 -43.03 98.22 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.972 -0.558 . . . . 72.310000000000002 110.57 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -54.42 -48.42 71.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.608 -0.724 . . . . 73.349999999999994 111.531 -176.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.514 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 41.1 mt -60.47 -53.06 54.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.669 -0.696 . . . . 62.039999999999999 111.323 -176.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.3 ptt? -62.59 -39.5 93.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.391 -0.368 . . . . 65.099999999999994 110.542 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.601 ' HA ' HG21 ' A' ' 5' ' ' ILE . 54.6 mttm -56.79 -47.27 80.57 Favored 'General case' 0 C--O 1.227 -0.131 0 CA-C-O 120.749 0.309 . . . . 73.219999999999999 110.884 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.42 ' HA ' ' HB3' ' A' ' 79' ' ' LEU . 27.9 mm-40 -69.18 -15.2 63.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.14 -0.482 . . . . 74.230000000000004 111.725 -178.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 19.2 mmm-85 -69.4 -64.53 0.86 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.512 -0.181 . . . . 73.150000000000006 110.512 177.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.791 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -63.75 -30.84 71.89 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 120.789 -0.364 . . . . 74.150000000000006 110.285 178.297 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.42 ' HB3' ' HA ' ' A' ' 76' ' ' GLN . 3.0 tm? -52.79 -48.03 67.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.853 -0.612 . . . . 64.25 109.802 177.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -29.25 68.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.954 -0.566 . . . . 73.109999999999999 110.916 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' A' ' 86' ' ' SER . 80.8 mt -73.61 -39.89 64.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.479 -0.328 . . . . 74.349999999999994 111.416 -175.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.594 HD21 HD11 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -78.17 -25.96 47.43 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.709 -0.396 . . . . 73.319999999999993 111.001 178.018 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -75.74 -43.26 47.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.041 0.448 . . . . 73.140000000000001 110.939 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -88.9 -16.15 32.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.723 -0.671 . . . . 71.239999999999995 110.663 -175.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 66.13 43.72 2.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.275 -0.875 . . . . 65.319999999999993 111.176 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.514 ' HB2' HD22 ' A' ' 81' ' ' LEU . 9.3 m -81.97 128.27 33.9 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.312 -0.858 . . . . 50.539999999999999 108.934 175.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -67.45 -0.17 3.51 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.171 0.804 . . . . 73.439999999999998 113.171 -171.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.527 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.5 mm? -63.08 -35.04 78.92 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.857 0.36 . . . . 72.109999999999999 111.33 -176.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' A' ' 78' ' ' LEU . 18.8 tp -105.05 -25.95 12.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.307 0.575 . . . . 73.519999999999996 110.614 176.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.509 HD11 ' HA ' ' A' ' 82' ' ' LEU . 12.1 mt -106.25 13.99 28.11 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.331 0.863 . . . . 73.420000000000002 113.331 -165.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -70.55 159.78 33.68 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-O 121.289 0.566 . . . . 60.520000000000003 111.537 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.8 m -85.32 148.66 25.93 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.01 -0.996 . . . . 44.539999999999999 109.805 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 32.0 p -146.4 -176.21 5.08 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.137 -0.483 . . . . 75.439999999999998 110.797 -174.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -105.18 40.61 1.49 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 113.187 0.81 . . . . 74.239999999999995 113.187 -175.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.676 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 85.0 m -80.5 -3.58 50.61 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 119.192 -1.003 . . . . 72.409999999999997 109.939 172.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.687 ' HD2' ' HA3' ' A' ' 17' ' ' GLY . 19.7 ptmt -134.18 -57.5 0.85 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.658 -0.701 . . . . 52.549999999999997 110.468 177.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.549 ' CE1' ' HE2' ' A' ' 96' ' ' LYS . 11.1 p90 -160.9 -168.05 1.99 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.98 -0.378 . . . . 61.310000000000002 109.98 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.2 m -68.8 -167.22 0.09 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.969 0.89 . . . . 60.329999999999998 112.763 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -134.96 170.08 16.42 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 114.744 -1.116 . . . . 71.120000000000005 110.098 -171.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.483 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 2.1 tpmt? -143.99 129.14 18.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.726 0.298 . . . . 73.25 110.538 -177.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.556 -0.735 . . . . 65.239999999999995 109.912 175.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 121.282 0.563 . . . . 71.040000000000006 110.421 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -143.59 -78.9 0.21 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.498 -0.774 . . . . 54.350000000000001 108.939 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -110.04 46.65 1.14 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 111.07 -0.812 . . . . 70.340000000000003 111.07 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.432 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 8.5 p-10 -136.74 5.33 2.87 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.37 0.507 . . . . 75.430000000000007 112.37 -175.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.622 HG21 ' HG2' ' A' ' 75' ' ' LYS . 5.7 tp -67.81 -30.92 50.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.204 -0.665 . . . . 74.530000000000001 109.204 177.101 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -63.66 -41.35 98.2 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.096 -0.956 . . . . 73.409999999999997 108.45 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.484 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 8.3 t-80 -60.21 -40.96 91.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.244 -0.889 . . . . 62.310000000000002 109.886 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 66.7 mmtt -62.68 -48.74 77.97 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.148 -0.478 . . . . 71.010000000000005 110.026 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.776 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 35.8 t -55.23 -43.94 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 115.925 -0.579 . . . . 74.120000000000005 110.362 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.439 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 12.5 m-30 -62.08 -51.36 68.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.023 -0.535 . . . . 61.439999999999998 109.812 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 12.1 mm100 -46.6 -44.95 18.6 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.218 0.822 . . . . 75.439999999999998 113.218 -172.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.424 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -92.15 -42.56 9.84 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.858 -0.337 . . . . 74.030000000000001 111.657 -176.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.519 HD12 HG12 ' A' ' 9' ' ' VAL . 20.7 mt -64.15 -45.16 89.69 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.539 0.57 . . . . 63.210000000000001 112.539 -176.263 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.48 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -62.99 -27.32 69.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.192 0.52 . . . . 71.129999999999995 109.687 178.637 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -82.58 -23.59 34.36 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.472 -0.785 . . . . 73.200000000000003 110.196 -175.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -81.35 -6.98 59.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.508 -0.769 . . . . 71.019999999999996 109.303 173.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.605 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 90.73 33.35 8.47 Favored Glycine 0 N--CA 1.439 -1.154 0 CA-C-N 115.333 -0.849 . . . . 74.439999999999998 111.8 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 5.0 t -110.72 139.1 46.31 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.642 -0.423 . . . . 71.010000000000005 110.165 175.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.43 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -124.2 -9.63 7.59 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.477 0.656 . . . . 71.349999999999994 109.617 168.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.426 ' OD1' ' HA ' ' A' ' 55' ' ' HIS . 10.2 t0 -85.05 80.47 9.26 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.111 -0.949 . . . . 72.219999999999999 110.822 -175.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -169.75 157.15 6.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.215 -0.902 . . . . 74.340000000000003 110.462 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.8 165.47 29.03 Favored Glycine 0 C--O 1.226 -0.389 0 C-N-CA 120.973 -0.632 . . . . 71.340000000000003 112.016 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.0 p -91.61 153.17 19.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.958 0.379 . . . . 71.25 111.036 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.525 ' HE3' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -134.27 144.6 48.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.865 0.364 . . . . 64.109999999999999 110.255 172.73 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.9 t -133.65 94.83 3.36 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.011 -0.54 . . . . 62.030000000000001 109.824 177.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.5 p -121.54 136.23 59.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.97 -0.559 . . . . 64.400000000000006 109.508 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.1 mt -69.07 128.7 32.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.274 0.559 . . . . 74.310000000000002 111.131 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -113.78 97.15 6.23 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 108.76 -0.83 . . . . 72.340000000000003 108.76 175.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.53 ' HB2' HD11 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -81.31 148.95 29.15 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.495 -0.775 . . . . 74.129999999999995 110.858 -173.779 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.9 t -114.86 139.16 42.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.754 -0.657 . . . . 63.439999999999998 109.936 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.819 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -75.43 63.47 1.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.48 0.657 . . . . 71.200000000000003 110.925 179.759 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.8 p -91.58 -57.99 2.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.914 -0.585 . . . . 70.319999999999993 111.305 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 m -82.67 37.81 0.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.912 -0.586 . . . . 74.109999999999999 111.676 -174.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -81.51 62.92 5.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 122.053 0.93 . . . . 72.200000000000003 109.858 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.64 22.67 10.5 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.175 -1.417 . . . . 62.340000000000003 107.175 176.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.815 HG21 ' HA ' ' A' ' 41' ' ' GLU . 1.3 p -84.67 150.69 24.96 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 113.631 -1.622 . . . . 61.32 112.862 -168.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.1 mt -108.82 -9.49 15.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.459 -0.791 . . . . 73.430000000000007 110.898 175.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.574 HD23 ' HB ' ' A' ' 36' ' ' THR . 2.6 pt? -89.76 -169.23 2.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.002 -0.545 . . . . 75.230000000000004 110.433 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -49.95 -80.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.811 0.694 . . . . 62.109999999999999 111.802 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.24 -165.24 1.07 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.85 -0.614 . . . . 74.209999999999994 109.612 176.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.815 ' HA ' HG21 ' A' ' 36' ' ' THR . 4.6 mp0 -81.08 102.76 10.44 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.85 -0.796 . . . . 70.319999999999993 108.85 173.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.445 ' H ' HD21 ' A' ' 38' ' ' LEU . 5.4 tt -36.86 -52.92 0.94 Allowed 'General case' 0 N--CA 1.467 0.409 0 O-C-N 124.153 0.908 . . . . 74.340000000000003 110.5 175.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.55 130.45 12.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.833 -0.621 . . . . 73.340000000000003 110.327 171.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 29' ' ' GLU . 1.4 pp -127.88 -178.64 4.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.91 -0.586 . . . . 63.350000000000001 110.511 177.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.7 m -77.19 100.76 5.91 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.343 0.592 . . . . 62.399999999999999 109.995 176.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -102.78 156.52 17.58 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.406 -0.816 . . . . 62.520000000000003 109.488 -179.204 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.553 ' HB3' ' HG2' ' A' ' 63' ' ' LYS . 45.5 m-85 -125.82 149.52 48.56 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.952 0.406 . . . . 64.329999999999998 110.684 -178.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -85.91 109.21 18.57 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.821 -0.627 . . . . 71.230000000000004 109.662 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.41 74.74 2.45 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.755 -0.657 . . . . 73.340000000000003 111.921 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.53 ' HE2' HG23 ' A' ' 67' ' ' VAL . 2.3 m-85 -74.8 133.78 41.89 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.179 -0.304 . . . . 70.310000000000002 110.179 177.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.539 ' HB3' HD12 ' A' ' 58' ' ' ILE . 3.0 m -154.5 152.64 30.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.5 -0.318 . . . . 64.450000000000003 110.793 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.776 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 26.3 t80 -107.29 119.61 39.87 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 109.286 -0.635 . . . . 72.310000000000002 109.286 170.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.513 ' CE1' ' HG2' ' A' ' 24' ' ' LYS . 1.9 m-85 -91.1 144.91 25.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.594 -0.73 . . . . 64.120000000000005 111.447 -177.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.463 ' HB3' HG23 ' A' ' 59' ' ' VAL . 13.8 tpt180 -148.73 104.09 3.44 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.96 -1.018 . . . . 71.019999999999996 109.728 -178.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.426 ' HA ' ' OD1' ' A' ' 20' ' ' ASP . 8.2 m-70 60.16 25.0 14.32 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.8 0.333 . . . . 73.299999999999997 111.653 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.95 -12.48 69.84 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.558 -0.83 . . . . 42.43 112.226 -177.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -90.68 178.09 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.697 -0.483 . . . . 74.519999999999996 109.697 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.539 HD12 ' HB3' ' A' ' 51' ' ' SER . 20.9 mm -116.32 119.92 63.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.08 -0.509 . . . . 63.109999999999999 110.625 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.652 HG11 HD13 ' A' ' 89' ' ' LEU . 64.7 t -96.57 -39.18 8.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.683 -0.689 . . . . 73.439999999999998 110.337 176.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.516 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -130.02 140.84 50.81 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.008 -0.542 . . . . 72.310000000000002 110.566 178.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -141.65 145.49 35.03 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.405 -0.361 . . . . 73.549999999999997 110.247 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.56 99.38 0.18 Allowed Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 111.431 -0.667 . . . . 75.329999999999998 111.431 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.553 ' HG2' ' HB3' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -92.91 115.96 28.61 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.736 -0.468 . . . . 60.350000000000001 109.736 177.755 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.487 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 60.6 m -142.88 162.12 36.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.806 0.336 . . . . 61.350000000000001 110.857 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.9 mtp-105 -77.75 -21.2 52.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.148 0.499 . . . . 74.319999999999993 109.78 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.444 ' HA ' ' HD2' ' A' ' 66' ' ' LYS . 31.0 tptt -109.34 132.94 53.65 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.502 -0.772 . . . . 74.120000000000005 110.278 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.53 HG23 ' HE2' ' A' ' 50' ' ' PHE . 7.2 p -53.7 -41.46 47.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.603 -0.726 . . . . 72.329999999999998 111.764 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.59 -34.34 53.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.334 -0.394 . . . . 54.530000000000001 112.052 -173.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -68.89 -42.28 77.15 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.342 -0.614 . . . . 74.200000000000003 109.342 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.487 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -58.12 -44.49 87.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.175 -0.92 . . . . 53.240000000000002 110.682 176.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.504 ' HB3' ' CE ' ' A' ' 75' ' ' LYS . 65.2 mttm -55.27 -51.13 67.64 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 115.666 -0.697 . . . . 51.43 110.523 173.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -52.68 -46.79 67.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.103 -0.953 . . . . 73.450000000000003 111.365 -174.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.451 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 44.1 mt -61.04 -55.16 26.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.579 -0.737 . . . . 64.319999999999993 111.487 -177.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.512 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 3.8 ptt? -63.95 -41.95 97.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.41 -0.359 . . . . 65.239999999999995 110.758 -177.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.622 ' HG2' HG21 ' A' ' 5' ' ' ILE . 56.8 mttm -58.55 -45.54 88.73 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 120.626 0.25 . . . . 64.319999999999993 111.097 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -64.88 -22.54 67.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.311 -0.404 . . . . 65.319999999999993 111.605 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 16.9 mmm180 -64.32 -67.04 0.46 Allowed 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 121.24 -0.184 . . . . 73.319999999999993 110.886 177.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.568 HD22 HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -64.4 -31.05 72.1 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.237 -0.585 . . . . 62.509999999999998 110.95 179.515 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -53.51 -50.35 65.61 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.741 -0.466 . . . . 44.32 109.741 177.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -66.44 -29.89 70.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.284 -0.417 . . . . 71.200000000000003 111.04 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 94.8 mt -70.9 -37.5 72.97 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.502 0.186 . . . . 70.439999999999998 111.502 -177.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.575 HD21 HD11 ' A' ' 5' ' ' ILE . 2.0 pp -82.71 -13.14 56.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.345 . . . . 71.510000000000005 111.265 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -92.2 -42.81 9.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.109 0.481 . . . . 73.010000000000005 110.48 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -83.11 -18.14 40.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.859 -0.609 . . . . 44.210000000000001 110.004 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm 66.64 44.94 2.12 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.982 -1.008 . . . . 53.0 111.029 178.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.412 ' HB2' HD22 ' A' ' 81' ' ' LEU . 19.8 m -85.04 139.88 31.42 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.182 -0.917 . . . . 64.120000000000005 110.145 176.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -68.01 -9.06 42.74 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.315 0.487 . . . . 64.230000000000004 112.315 -174.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.509 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -57.13 -37.81 72.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.76 0.314 . . . . 31.25 111.791 -176.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.652 HD13 HG11 ' A' ' 59' ' ' VAL . 5.3 tp -108.56 -15.33 14.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.438 0.637 . . . . 64.530000000000001 110.469 177.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.5 mt -113.0 19.1 17.55 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 112.898 0.703 . . . . 74.049999999999997 112.898 -170.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -72.3 158.92 34.92 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.731 -0.388 . . . . 72.420000000000002 111.33 -177.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.5 m -82.3 141.76 32.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.74 -0.664 . . . . 52.450000000000003 110.275 177.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.8 p -142.79 174.52 10.58 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.371 -0.377 . . . . 64.510000000000005 110.841 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.46 ' HB2' ' OG ' ' A' ' 98' ' ' SER . 55.5 t30 -108.05 73.4 0.89 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.305 -0.407 . . . . 75.230000000000004 111.642 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.605 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 73.6 m -101.1 -1.13 34.86 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 119.735 -0.786 . . . . 70.349999999999994 110.617 166.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.48 ' CD ' ' HA3' ' A' ' 17' ' ' GLY . 20.4 ptmt -150.98 -47.81 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.841 -0.618 . . . . 75.120000000000005 109.849 175.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.448 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 32.7 p90 -160.37 166.8 28.7 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.399 -0.963 . . . . 70.430000000000007 108.399 174.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.46 ' OG ' ' HB2' ' A' ' 94' ' ' ASN . 55.3 p -178.34 175.91 1.13 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 123.608 0.568 . . . . 74.310000000000002 110.782 173.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.474 ' HE3' ' HB2' ' A' ' 99' ' ' LYS . 18.2 mtmt -101.54 129.19 47.57 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.998 -1.001 . . . . 75.349999999999994 110.161 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -78.22 137.11 37.96 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.258 -0.428 . . . . 65.439999999999998 109.995 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.411 -0.804 . . . . 75.400000000000006 110.083 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.7 mmm . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.727 0.299 . . . . 74.439999999999998 110.647 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' HD2' HD21 ' A' ' 79' ' ' LEU . 73.1 mmtt -82.41 97.57 8.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.84 -0.8 . . . . 60.439999999999998 108.84 175.006 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -127.52 -64.84 0.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.219 -0.991 . . . . 52.5 113.096 -177.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -77.96 72.47 4.5 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.649 0.738 . . . . 72.510000000000005 110.897 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.635 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -64.7 -32.61 58.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.144 -0.935 . . . . 63.420000000000002 109.827 -179.79 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.54 ' O ' ' HD1' ' A' ' 10' ' ' TYR . 1.9 mp0 -56.99 -44.97 83.27 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.567 -0.742 . . . . 74.420000000000002 110.292 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.669 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 52.9 m170 -59.33 -42.86 92.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.333 -0.394 . . . . 74.310000000000002 110.469 178.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -60.88 -48.65 80.86 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.337 -0.392 . . . . 73.239999999999995 111.021 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.651 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 48.9 t -57.81 -39.84 72.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.001 -0.545 . . . . 63.530000000000001 110.776 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.54 ' HD1' ' O ' ' A' ' 6' ' ' GLU . 28.4 m-85 -69.0 -39.84 79.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.548 -0.296 . . . . 73.409999999999997 110.957 178.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.669 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 24.9 mm-40 -52.43 -45.39 65.96 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.495 0.554 . . . . 75.310000000000002 112.495 -175.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.544 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -94.82 -42.79 8.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.452 0.538 . . . . 61.119999999999997 112.452 -175.48 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.544 ' H ' HD12 ' A' ' 12' ' ' LEU . 20.1 mt -61.99 -42.39 99.09 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.367 0.506 . . . . 63.109999999999999 112.367 -175.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 19.2 pttp -63.54 -29.06 70.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.073 0.464 . . . . 72.329999999999998 109.839 178.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.36 -21.18 39.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.747 -0.66 . . . . 75.519999999999996 111.188 -178.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -84.52 -1.87 56.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.585 0.707 . . . . 74.530000000000001 109.625 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.591 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 90.1 32.17 10.07 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-N 115.19 -0.914 . . . . 70.329999999999998 111.921 177.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 5.0 t -114.02 140.4 48.47 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.686 -0.406 . . . . 62.32 110.152 176.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -125.97 -4.39 6.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.295 0.569 . . . . 74.200000000000003 110.102 171.075 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -93.39 83.59 4.59 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.772 -0.649 . . . . 71.129999999999995 110.474 -175.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.426 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 20.0 p90 -170.34 149.0 3.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.254 -0.884 . . . . 75.409999999999997 110.417 176.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.05 -178.71 48.44 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.41 -0.676 . . . . 71.319999999999993 111.41 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -109.72 150.25 28.58 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 117.447 0.623 . . . . 62.039999999999999 111.061 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.534 ' HG2' ' HB3' ' A' ' 51' ' ' SER . 44.6 pttt -110.15 142.19 42.0 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.011 -0.737 . . . . 74.510000000000005 109.011 171.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.1 p -131.81 62.07 1.64 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.555 0.693 . . . . 60.32 109.59 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.5 p -103.95 142.85 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.455 -0.793 . . . . 54.210000000000001 109.902 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.5 mt -76.39 125.64 36.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.483 0.659 . . . . 74.349999999999994 110.797 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -117.3 98.39 6.41 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.973 -1.012 . . . . 71.519999999999996 108.648 177.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.558 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.6 OUTLIER -77.77 161.31 27.78 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.471 -0.786 . . . . 73.010000000000005 111.126 -173.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.1 t -120.29 111.23 31.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 109.119 -0.696 . . . . 74.209999999999994 109.119 176.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -51.85 106.38 0.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.769 -0.651 . . . . 54.130000000000003 111.281 -176.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.0 m -79.34 122.7 26.7 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.392 -0.822 . . . . 74.420000000000002 109.603 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.6 t -87.25 91.87 8.87 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.013 0.435 . . . . 75.349999999999994 110.633 -175.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -165.38 173.99 10.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.785 -0.643 . . . . 54.509999999999998 109.453 175.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -99.15 107.42 19.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.685 0.278 . . . . 71.239999999999995 110.297 175.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.6 t -78.41 162.02 26.72 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.463 -0.569 . . . . 62.439999999999998 109.463 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.62 16.43 9.09 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.463 0.542 . . . . 62.240000000000002 112.463 -172.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.751 HD11 ' HB2' ' A' ' 42' ' ' LEU . 1.1 pt? -141.32 177.0 8.4 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.614 -0.434 . . . . 75.209999999999994 110.915 175.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -48.46 -75.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.961 -1.018 . . . . 52.509999999999998 112.178 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 m -106.75 143.55 34.69 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.041 -0.982 . . . . 54.530000000000001 108.667 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -55.11 99.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.239 0.542 . . . . 74.430000000000007 110.426 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.751 ' HB2' HD11 ' A' ' 38' ' ' LEU . 48.7 tp -44.08 -52.4 7.2 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 114.964 -1.017 . . . . 52.130000000000003 111.377 -178.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -152.12 93.18 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.821 -0.627 . . . . 72.230000000000004 109.344 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.528 HD23 ' H ' ' A' ' 44' ' ' LEU . 2.6 pt? -87.05 -177.63 6.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.148 -0.478 . . . . 72.319999999999993 110.553 -177.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.6 m -66.07 107.11 1.79 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.078 0.466 . . . . 71.5 109.957 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -125.43 152.41 44.9 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.825 -0.625 . . . . 70.209999999999994 109.917 -177.868 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -130.41 146.53 51.99 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.231 -0.441 . . . . 75.200000000000003 109.859 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -77.85 113.12 15.42 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.033 -0.53 . . . . 63.32 109.776 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.79 81.58 1.72 Allowed Glycine 0 N--CA 1.441 -1.013 0 CA-C-N 115.825 -0.625 . . . . 75.510000000000005 111.624 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.553 ' HE2' HG23 ' A' ' 67' ' ' VAL . 5.4 m-85 -84.4 130.65 34.76 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.667 -0.494 . . . . 74.099999999999994 109.667 174.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.605 ' OG ' HD12 ' A' ' 58' ' ' ILE . 6.4 t -158.51 149.85 20.86 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.181 -0.463 . . . . 70.109999999999999 109.932 -177.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.651 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 35.9 t80 -104.24 122.35 45.2 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 110.025 -0.361 . . . . 74.140000000000001 110.025 177.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.411 ' HE2' ' HD3' ' A' ' 24' ' ' LYS . 2.0 m-85 -93.41 138.75 31.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.051 -0.977 . . . . 70.239999999999995 110.985 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.487 ' HB3' HG23 ' A' ' 59' ' ' VAL . 13.5 tpt180 -140.19 104.11 4.74 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.192 -0.913 . . . . 71.340000000000003 109.339 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 63.13 25.18 14.79 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.247 0.342 . . . . 74.200000000000003 111.367 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.16 3.61 82.22 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.611 -0.805 . . . . 55.340000000000003 112.125 -177.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -105.51 175.6 5.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.496 -0.557 . . . . 52.420000000000002 109.496 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.605 HD12 ' OG ' ' A' ' 51' ' ' SER . 28.8 mm -112.68 120.93 63.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.128 0.49 . . . . 70.040000000000006 111.101 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.581 HG11 HD13 ' A' ' 89' ' ' LEU . 59.3 t -100.43 -40.94 8.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.319 -0.855 . . . . 73.510000000000005 110.205 176.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.516 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -128.36 142.48 51.11 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 116.178 -0.465 . . . . 75.510000000000005 110.525 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -142.73 136.53 29.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.078 -0.342 . . . . 75.25 110.078 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.448 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -150.33 100.02 0.2 Allowed Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 111.229 -0.748 . . . . 64.019999999999996 111.229 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -99.96 120.91 40.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.777 0.322 . . . . 73.140000000000001 111.167 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.8 m -153.71 156.99 38.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.159 -0.473 . . . . 70.019999999999996 110.255 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -77.87 -16.34 58.34 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.476 -0.564 . . . . 70.400000000000006 109.476 176.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -93.59 121.94 35.52 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.701 -0.681 . . . . 70.329999999999998 109.48 173.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.553 HG23 ' HE2' ' A' ' 50' ' ' PHE . 12.1 p -57.77 -36.91 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 123.463 0.477 . . . . 54.32 110.856 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.23 -26.81 56.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 61.030000000000001 111.671 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -82.0 -44.11 17.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.094 0.473 . . . . 74.310000000000002 109.739 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.56 -51.25 70.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.234 -0.894 . . . . 60.140000000000001 110.527 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.425 ' HG3' ' CE1' ' A' ' 50' ' ' PHE . 5.4 mtpp -54.76 -44.3 73.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.18 -0.918 . . . . 72.340000000000003 110.977 174.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -56.09 -48.78 75.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.88 -0.6 . . . . 73.120000000000005 111.585 -176.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.448 ' HB ' ' HA3' ' A' ' 62' ' ' GLY . 42.6 mt -59.11 -54.99 26.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.758 -0.656 . . . . 73.209999999999994 111.421 -176.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 3.0 ptt? -61.65 -38.51 87.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 75.430000000000007 110.665 -178.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.635 ' HA ' HG21 ' A' ' 5' ' ' ILE . 47.5 mttm -57.09 -51.31 69.78 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 120.612 0.244 . . . . 71.200000000000003 110.683 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -62.12 -20.16 63.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 62.340000000000003 111.926 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.585 ' HA ' ' HE ' ' A' ' 77' ' ' ARG . 1.3 mmp_? -65.86 -66.1 0.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.597 -0.274 . . . . 65.239999999999995 110.406 176.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.537 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -68.02 -28.41 67.38 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.321 -0.552 . . . . 74.010000000000005 110.746 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.434 HD21 ' HD2' ' A' ' 2' ' ' LYS . 2.8 tm? -52.45 -48.73 65.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 74.530000000000001 110.079 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -72.18 -27.67 62.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.206 -0.452 . . . . 74.310000000000002 110.998 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.9 mt -69.78 -36.77 76.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.711 -0.222 . . . . 71.209999999999994 111.293 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.572 HD21 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -85.12 -27.56 26.15 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.848 -0.341 . . . . 71.209999999999994 111.268 178.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -71.09 -41.87 70.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.04 0.448 . . . . 71.409999999999997 110.799 175.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -89.09 -13.07 39.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.045 -0.525 . . . . 65.420000000000002 110.554 -177.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 65.26 47.33 2.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.41 -0.814 . . . . 72.299999999999997 110.881 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.5 m -89.01 139.32 30.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.624 -0.717 . . . . 75.340000000000003 110.747 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -70.84 -4.37 23.82 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.41 0.522 . . . . 75.040000000000006 112.41 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.427 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -62.91 -32.07 73.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.024 0.44 . . . . 75.420000000000002 111.222 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 89' ' ' LEU . 5.2 tp -114.25 -9.03 12.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.624 0.726 . . . . 65.099999999999994 110.18 176.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.5 mt -119.77 22.44 11.57 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.818 -0.628 . . . . 72.219999999999999 112.394 -172.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -71.65 160.48 32.58 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.01 0.433 . . . . 75.430000000000007 111.639 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.7 m -84.4 139.48 32.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.624 -0.716 . . . . 62.130000000000003 110.607 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 98' ' ' SER . 15.3 p -140.18 -178.28 5.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.67 -0.695 . . . . 73.439999999999998 110.197 -177.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -116.96 69.33 0.75 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.497 -0.319 . . . . 72.329999999999998 111.231 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 67.9 m -95.5 8.87 42.02 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.739 -0.601 . . . . 64.099999999999994 110.57 168.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.49 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 20.3 ptmt -161.49 -48.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.697 -0.683 . . . . 71.450000000000003 109.631 178.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.49 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 30.4 p90 -167.29 172.08 10.12 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 107.455 -1.313 . . . . 73.299999999999997 107.455 175.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 93' ' ' CYS . 37.4 p -174.97 171.07 3.13 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.898 0.856 . . . . 74.120000000000005 112.181 173.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -102.84 -21.02 14.09 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 113.794 -1.548 . . . . 72.219999999999999 109.419 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.33 151.66 19.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.123 -0.944 . . . . 61.219999999999999 108.847 173.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.49 ' HD3' ' N ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.642 -0.694 . . . . 71.0 111.061 -176.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.5 mtt . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.84 0.352 . . . . 53.0 111.032 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.42 ' HE2' ' HB2' ' A' ' 2' ' ' LYS . 24.2 ttmm -90.15 77.91 6.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.691 -0.855 . . . . 74.219999999999999 108.691 172.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.65 94.25 0.1 Allowed Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 114.341 -1.3 . . . . 74.219999999999999 110.058 -174.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -62.5 150.6 39.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.026 0.917 . . . . 74.349999999999994 112.98 -170.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.793 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -68.62 -27.5 36.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.259 -1.337 . . . . 64.010000000000005 109.723 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.24 -41.27 88.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.212 -0.904 . . . . 71.230000000000004 109.688 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.687 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 1.5 m80 -58.05 -53.07 62.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.034 -0.53 . . . . 72.420000000000002 110.767 172.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.549 ' HG2' ' HA ' ' A' ' 5' ' ' ILE . 52.1 mmtt -55.61 -50.46 70.07 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 123.351 0.407 . . . . 65.400000000000006 111.175 -175.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.424 HG11 ' CE2' ' A' ' 52' ' ' PHE . 7.5 p -65.13 -36.97 79.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 73.120000000000005 111.343 -175.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.5 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 12.0 m-30 -68.09 -34.39 76.31 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.666 -0.494 . . . . 71.409999999999997 109.666 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.687 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 78.3 mm-40 -58.61 -48.66 80.25 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.777 -0.647 . . . . 74.409999999999997 112.136 -174.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.488 ' O ' ' HB3' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -90.63 -33.58 15.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.155 -0.475 . . . . 63.119999999999997 112.218 -173.809 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.502 HD21 ' O ' ' A' ' 89' ' ' LEU . 19.0 mt -66.34 -43.05 87.18 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 120.781 -0.368 . . . . 75.510000000000005 111.822 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 60.7 pttt -64.44 -26.84 68.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.047 0.451 . . . . 74.349999999999994 110.233 177.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.488 ' HB3' ' O ' ' A' ' 12' ' ' LEU . 14.5 t70 -66.85 -45.97 76.53 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.839 -0.618 . . . . 64.420000000000002 110.79 178.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.917 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 2.8 mt-30 -73.71 -6.64 48.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.125 -0.943 . . . . 73.239999999999995 111.449 -175.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.552 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 95.77 38.07 4.79 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.519 -0.848 . . . . 52.329999999999998 111.726 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.2 t -120.23 138.26 53.75 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.032 -0.358 . . . . 61.130000000000003 110.032 175.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.56 -8.82 6.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.094 0.474 . . . . 72.120000000000005 109.925 168.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.426 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 26.3 t70 -86.16 79.58 9.06 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 121.543 0.687 . . . . 74.219999999999999 111.241 -176.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 13.3 p90 -163.37 165.45 23.99 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.809 -1.087 . . . . 74.040000000000006 109.899 176.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.03 177.62 38.86 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.909 -0.662 . . . . 44.130000000000003 111.531 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 p -112.06 138.26 48.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.997 0.427 . . . . 72.230000000000004 111.477 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.564 ' HG2' ' HB3' ' A' ' 51' ' ' SER . 14.6 pttp -97.25 141.59 30.17 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.51 -0.922 . . . . 61.219999999999999 108.51 171.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.3 p -132.96 40.71 3.21 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.662 0.744 . . . . 73.010000000000005 109.054 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.6 p -82.62 130.92 34.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.059 -0.973 . . . . 61.549999999999997 110.769 -170.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 55.8 mt -72.08 128.03 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-O 121.338 0.589 . . . . 65.439999999999998 110.511 178.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -118.39 99.57 6.92 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.418 -0.81 . . . . 73.109999999999999 110.03 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.616 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 9.7 pt-20 -76.6 119.86 21.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.655 -0.702 . . . . 64.439999999999998 109.924 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.6 t -86.23 -63.37 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.66 -0.7 . . . . 73.219999999999999 111.383 -171.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HE2' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -144.96 164.5 30.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.146 -0.479 . . . . 50.119999999999997 110.202 -176.65 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.4 t -129.83 -168.96 2.03 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.681 -0.489 . . . . 72.099999999999994 109.681 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 p -131.54 96.48 3.99 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.668 -0.493 . . . . 63.5 109.668 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -66.76 99.32 0.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.862 -0.608 . . . . 74.329999999999998 109.623 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -168.44 -45.42 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.025 -0.534 . . . . 74.010000000000005 110.451 -174.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 t -71.83 -45.52 61.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.061 -0.518 . . . . 72.200000000000003 111.431 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.2 mt 54.1 88.51 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.618 0.599 . . . . 74.219999999999999 112.618 176.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -141.04 -164.34 1.73 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.207 -0.452 . . . . 70.219999999999999 110.331 178.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -41.81 -62.42 0.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.802 0.688 . . . . 72.230000000000004 111.063 173.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.0 p -111.82 -151.06 0.47 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.568 -0.742 . . . . 72.209999999999994 109.065 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -98.62 18.85 15.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.789 -0.448 . . . . 74.439999999999998 109.789 171.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 tp 67.46 -71.83 0.1 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.796 -0.638 . . . . 64.310000000000002 110.535 -174.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -170.3 97.58 0.26 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.58 -0.896 . . . . 73.310000000000002 108.58 176.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -85.43 -172.03 3.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.101 -0.5 . . . . 73.329999999999998 111.591 -175.009 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.424 HG23 ' NH1' ' A' ' 65' ' ' ARG . 15.0 m -82.73 97.34 8.52 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 121.631 0.729 . . . . 70.030000000000001 110.314 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.616 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -117.24 155.9 28.67 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.877 -1.056 . . . . 73.439999999999998 109.669 -178.35 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -127.51 147.26 50.32 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.284 -0.416 . . . . 73.409999999999997 110.323 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.5 ' CE2' ' HB ' ' A' ' 67' ' ' VAL . 4.5 m-30 -82.32 104.59 12.74 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.099 -0.704 . . . . 73.230000000000004 109.099 175.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.99 76.8 1.88 Allowed Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.688 -0.687 . . . . 71.129999999999995 112.487 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.557 ' CE2' HG23 ' A' ' 67' ' ' VAL . 18.2 m-85 -80.34 136.58 36.42 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.997 -0.372 . . . . 71.530000000000001 109.997 174.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.632 ' OG ' HD12 ' A' ' 58' ' ' ILE . 23.2 t -167.7 145.39 4.49 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.846 -0.427 . . . . 60.520000000000003 109.846 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.63 ' CG ' HD21 ' A' ' 78' ' ' LEU . 41.3 t80 -100.41 121.8 42.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.768 0.318 . . . . 72.109999999999999 110.326 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -93.29 138.12 31.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.235 -0.893 . . . . 75.420000000000002 110.911 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.441 ' HB3' HG23 ' A' ' 59' ' ' VAL . 16.2 tpt180 -141.55 104.35 4.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.387 -0.824 . . . . 75.349999999999994 109.953 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.426 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 6.1 m-70 56.55 31.6 19.33 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.825 0.345 . . . . 62.039999999999999 111.4 -177.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.35 -13.16 64.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 72.140000000000001 112.656 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -89.98 173.46 8.2 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.661 -0.496 . . . . 75.120000000000005 109.661 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.632 HD12 ' OG ' ' A' ' 51' ' ' SER . 25.8 mm -115.8 114.9 47.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.763 -0.653 . . . . 52.509999999999998 110.408 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.684 HG11 HD13 ' A' ' 89' ' ' LEU . 92.5 t -94.2 -38.39 9.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.272 -0.876 . . . . 65.040000000000006 109.735 178.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.415 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -128.36 139.18 52.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.597 -0.728 . . . . 65.109999999999999 110.044 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.423 ' HD2' HG21 ' A' ' 58' ' ' ILE . 2.1 t80 -143.34 125.43 15.37 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.6 -0.518 . . . . 74.420000000000002 109.6 176.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.523 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -141.38 95.54 0.19 Allowed Glycine 0 N--CA 1.44 -1.076 0 N-CA-C 111.235 -0.746 . . . . 61.539999999999999 111.235 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -99.76 124.51 45.1 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.837 0.351 . . . . 61.149999999999999 110.606 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.2 m -155.01 159.93 40.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.22 -0.445 . . . . 62.530000000000001 110.037 177.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.424 ' NH1' HG23 ' A' ' 45' ' ' THR . 35.7 ttt180 -74.46 -19.61 60.32 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.114 -0.698 . . . . 72.200000000000003 109.114 177.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -101.17 126.59 47.89 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.16 -0.927 . . . . 73.209999999999994 109.827 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.557 HG23 ' CE2' ' A' ' 50' ' ' PHE . 3.0 p -55.59 -47.75 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 O-C-N 123.42 0.45 . . . . 74.340000000000003 111.304 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 67' ' ' VAL . . . -63.39 -39.79 95.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.064 -0.516 . . . . 72.120000000000005 111.509 -178.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -69.39 -45.3 69.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.075 0.464 . . . . 72.510000000000005 110.271 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.523 ' HB1' ' O ' ' A' ' 62' ' ' GLY . . . -59.05 -47.07 86.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.01 0.909 . . . . 62.530000000000001 110.172 177.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.516 ' HG2' ' NZ ' ' A' ' 75' ' ' LYS . 15.9 ttpt -64.57 -37.3 87.07 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.088 -1.415 . . . . 75.510000000000005 110.439 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.53 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 5.9 t80 -57.31 -50.67 72.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.489 -0.778 . . . . 74.109999999999999 110.961 176.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.2 mt -59.29 -52.67 58.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.84 -0.618 . . . . 71.239999999999995 111.551 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.8 ptt? -60.32 -39.03 85.59 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.266 -0.425 . . . . 64.530000000000001 110.42 -178.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.793 ' HG2' ' HB ' ' A' ' 5' ' ' ILE . 35.0 mttp -55.35 -47.73 75.28 Favored 'General case' 0 CA--C 1.526 0.043 0 CA-C-O 120.629 0.252 . . . . 73.420000000000002 111.286 177.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 83.8 mm-40 -60.68 -25.43 66.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.971 -0.559 . . . . 61.329999999999998 111.38 -177.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.53 ' O ' HD22 ' A' ' 81' ' ' LEU . 23.5 mmm180 -67.43 -69.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.476 . . . . 73.540000000000006 110.874 178.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.646 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -62.57 -32.85 73.89 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.281 -0.567 . . . . 73.319999999999993 110.54 -176.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 9.5 tp -47.2 -54.58 10.38 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 123.647 0.592 . . . . 44.32 110.276 176.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -59.83 -34.3 72.9 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.326 -0.852 . . . . 74.25 111.273 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.631 HD12 ' HB2' ' A' ' 86' ' ' SER . 0.5 OUTLIER -67.06 -42.79 84.16 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.37 -0.532 . . . . 63.399999999999999 110.91 178.797 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.612 HD21 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -80.0 -23.66 41.38 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.075 -0.25 . . . . 74.129999999999995 111.318 -178.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -74.09 -48.94 26.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.073 0.463 . . . . 62.340000000000003 110.885 174.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -86.68 -11.17 52.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.268 0.556 . . . . 73.430000000000007 110.003 -175.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm 60.96 50.94 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.903 -1.044 . . . . 51.210000000000001 110.436 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.631 ' HB2' HD12 ' A' ' 81' ' ' LEU . 10.5 m -96.23 143.36 27.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.251 -0.886 . . . . 64.230000000000004 110.526 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -71.87 -0.61 11.74 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.437 0.532 . . . . 63.509999999999998 112.437 -172.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.416 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.6 mm? -64.6 -33.08 75.08 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.857 0.36 . . . . 75.319999999999993 111.173 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.684 HD13 HG11 ' A' ' 59' ' ' VAL . 10.0 tp -113.34 -14.61 12.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.437 0.637 . . . . 73.409999999999997 110.563 173.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.4 mt -111.07 23.56 13.97 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 112.912 0.708 . . . . 74.040000000000006 112.912 -171.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -75.2 165.1 25.73 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.186 0.517 . . . . 73.129999999999995 111.402 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.3 m -94.0 149.99 20.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.363 -0.835 . . . . 72.109999999999999 111.108 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 18.3 p -146.9 -175.17 4.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.75 -0.659 . . . . 72.299999999999997 109.651 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -124.0 68.98 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.72 0.295 . . . . 74.109999999999999 110.789 176.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 13.2 m -81.39 -13.15 58.62 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.416 0.627 . . . . 70.329999999999998 110.214 172.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.423 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 18.6 ptmt -150.46 -46.86 0.12 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.598 -0.728 . . . . 73.209999999999994 109.676 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.464 ' HD1' ' O ' ' A' ' 98' ' ' SER . 23.3 p90 -160.87 -176.52 5.56 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.244 -1.021 . . . . 74.129999999999995 108.244 176.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.464 ' O ' ' HD1' ' A' ' 97' ' ' PHE . 42.4 m -131.11 173.24 11.22 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.888 0.375 . . . . 61.509999999999998 111.011 174.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt 72.12 48.59 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.36 -0.836 . . . . 74.299999999999997 110.891 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.917 ' HE2' ' HA ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -76.25 -57.79 3.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.865 -1.062 . . . . 63.240000000000002 108.311 170.732 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.3 tptt . . . . . 0 C--O 1.247 0.949 0 CA-C-N 114.605 -1.18 . . . . 73.340000000000003 110.391 170.161 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 109.776 -0.453 . . . . 64.219999999999999 109.776 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -83.1 111.18 18.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.275 0.56 . . . . 70.530000000000001 109.741 176.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.64 130.66 6.99 Favored Glycine 0 N--CA 1.443 -0.863 0 N-CA-C 110.739 -0.945 . . . . 63.340000000000003 110.739 -171.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -73.34 143.97 46.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.487 0.66 . . . . 72.230000000000004 111.602 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.647 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -62.3 -33.2 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 114.737 -1.12 . . . . 71.219999999999999 111.594 -176.524 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.65 -32.95 73.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.711 0.291 . . . . 64.299999999999997 110.233 -175.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -64.02 -39.48 94.2 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.548 -0.538 . . . . 72.209999999999994 109.548 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.483 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 55.6 mmtt -62.59 -48.68 78.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.982 -0.554 . . . . 73.420000000000002 110.046 178.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.732 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 57.4 t -54.94 -49.31 71.78 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 CA-C-N 115.803 -0.635 . . . . 75.400000000000006 111.126 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -63.12 -42.52 99.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.307 -0.406 . . . . 71.129999999999995 110.091 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -53.33 -48.09 68.77 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 113.103 0.779 . . . . 42.32 113.103 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -91.26 -38.39 12.7 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.834 -0.346 . . . . 60.119999999999997 111.885 -173.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.554 HD21 ' O ' ' A' ' 89' ' ' LEU . 20.5 mt -64.14 -44.59 91.69 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.185 0.439 . . . . 51.039999999999999 112.185 -177.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.614 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -62.57 -26.09 68.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.332 0.587 . . . . 73.329999999999998 109.872 178.761 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -77.43 -42.23 36.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.069 -0.969 . . . . 61.210000000000001 111.042 -177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -67.69 -19.59 65.19 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.034 -0.53 . . . . 74.420000000000002 110.738 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.607 ' HA2' ' HD3' ' A' ' 96' ' ' LYS . . . 111.12 40.7 1.24 Allowed Glycine 0 N--CA 1.438 -1.215 0 CA-C-N 115.529 -0.759 . . . . 71.150000000000006 111.892 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.614 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.2 t -126.39 135.3 51.27 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.452 -0.499 . . . . 75.310000000000002 110.591 173.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.46 4.81 9.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.285 0.564 . . . . 60.350000000000001 109.712 169.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -104.18 82.97 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.452 -0.794 . . . . 75.510000000000005 110.953 -172.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -168.53 154.44 6.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.657 -0.701 . . . . 65.409999999999997 110.164 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.37 162.52 29.93 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.799 -0.715 . . . . 55.030000000000001 112.124 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.508 HG23 ' CD2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -94.6 150.01 20.67 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.766 0.317 . . . . 41.420000000000002 111.633 -179.628 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.519 ' HE3' ' HB2' ' A' ' 51' ' ' SER . 0.0 OUTLIER -139.37 146.97 40.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.377 -0.374 . . . . 72.519999999999996 110.154 172.132 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.8 p -134.04 83.15 2.02 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.548 0.69 . . . . 75.209999999999994 109.776 173.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.0 p -92.34 138.88 18.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.633 -0.712 . . . . 53.530000000000001 109.228 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 64.1 mt -72.74 125.41 31.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.7 0.762 . . . . 72.239999999999995 111.039 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.416 ' CD ' ' HD3' ' A' ' 63' ' ' LYS . 45.2 mt-10 -98.15 84.71 3.32 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 114.639 -1.164 . . . . 71.239999999999995 109.106 176.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 9.5 pt-20 -80.19 117.29 20.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.791 -1.095 . . . . 74.010000000000005 109.715 -178.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.1 t -80.6 88.02 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.744 -0.662 . . . . 64.299999999999997 110.14 -175.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.486 ' HA ' HD21 ' A' ' 44' ' ' LEU . 39.0 ttpt -78.31 85.22 4.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.405 -0.816 . . . . 71.099999999999994 110.286 -177.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.0 t -155.21 147.83 24.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.564 -0.744 . . . . 51.020000000000003 109.761 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.7 m 59.2 35.78 23.65 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.749 0.655 . . . . 70.439999999999998 110.968 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -99.69 81.47 2.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.626 0.727 . . . . 73.140000000000001 111.207 -177.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -90.79 115.17 27.65 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.508 -0.923 . . . . 60.240000000000002 108.508 172.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.3 t -155.22 -167.68 2.63 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.163 -0.471 . . . . 64.239999999999995 111.394 -167.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.4 mt -119.3 3.27 11.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.395 -0.366 . . . . 74.109999999999999 111.79 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.453 HD23 ' H ' ' A' ' 38' ' ' LEU . 2.2 pt? -133.84 -175.59 3.89 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.254 -0.276 . . . . 74.129999999999995 110.254 178.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -40.71 -63.55 0.64 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.593 0.757 . . . . 51.509999999999998 111.813 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.1 p -136.92 168.99 18.51 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.381 -0.827 . . . . 70.219999999999999 108.908 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -56.26 101.29 0.05 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.504 -0.554 . . . . 74.310000000000002 109.504 171.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.4 tp -33.14 -49.04 0.24 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 124.289 0.993 . . . . 71.5 111.794 174.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -108.7 88.76 2.8 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.923 -0.769 . . . . 71.239999999999995 108.923 170.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.491 HD23 ' HB2' ' A' ' 29' ' ' GLU . 48.1 tp -91.13 156.44 17.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.908 -0.587 . . . . 74.349999999999994 110.278 -175.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.3 m -66.04 97.06 0.35 Allowed 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.375 0.607 . . . . 52.130000000000003 109.47 174.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -117.27 151.44 36.93 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.658 -0.701 . . . . 75.209999999999994 110.31 -174.902 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -129.46 152.77 48.64 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.964 -0.562 . . . . 74.120000000000005 110.298 -177.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -87.78 107.51 18.69 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.781 0.324 . . . . 63.310000000000002 110.137 177.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.75 77.14 1.66 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.735 -0.745 . . . . 60.530000000000001 112.403 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.556 ' CE1' HG23 ' A' ' 67' ' ' VAL . 7.3 m-85 -72.68 136.66 45.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.733 0.302 . . . . 74.540000000000006 110.382 176.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.519 ' HB2' ' HE3' ' A' ' 24' ' ' LYS . 2.7 m -157.13 154.7 29.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.438 -0.346 . . . . 64.129999999999995 110.685 -179.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.732 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 28.5 t80 -111.69 123.1 49.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.768 -0.456 . . . . 73.329999999999998 109.768 174.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -93.53 140.7 29.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.619 -0.719 . . . . 73.439999999999998 111.987 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.514 ' HB3' HG23 ' A' ' 59' ' ' VAL . 15.1 tpt180 -144.72 105.91 4.2 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.247 -0.888 . . . . 72.019999999999996 109.669 179.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 60.85 28.68 18.43 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.792 0.33 . . . . 75.239999999999995 111.082 -177.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.4 -1.29 88.95 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.448 -0.882 . . . . 64.25 112.366 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -97.75 176.29 5.87 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.825 -0.435 . . . . 73.409999999999997 109.825 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.414 HD12 ' HB3' ' A' ' 51' ' ' SER . 23.3 mm -114.42 115.69 50.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.031 -0.531 . . . . 73.439999999999998 110.716 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.629 HG11 HD13 ' A' ' 89' ' ' LEU . 68.2 t -94.33 -38.45 9.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.375 -0.829 . . . . 72.450000000000003 109.871 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.463 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -128.89 137.11 51.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.722 -0.672 . . . . 71.25 110.141 178.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -143.71 130.15 20.0 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.914 -0.402 . . . . 71.010000000000005 109.914 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -154.68 96.78 0.16 Allowed Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.838 -0.696 . . . . 74.409999999999997 112.134 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.416 ' HD3' ' CD ' ' A' ' 28' ' ' GLU . 3.8 ttpm? -92.95 127.38 38.44 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 120.777 0.323 . . . . 50.219999999999999 110.311 176.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.409 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 27.8 t -142.81 163.21 33.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.291 -0.413 . . . . 71.329999999999998 110.329 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.479 ' O ' ' HD3' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -69.36 -25.42 64.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.933 -0.576 . . . . 75.450000000000003 110.004 179.192 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -120.98 149.98 41.83 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.834 0.349 . . . . 74.430000000000007 111.064 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.556 HG23 ' CE1' ' A' ' 50' ' ' PHE . 3.3 p -61.09 -42.65 94.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.836 -0.62 . . . . 71.420000000000002 111.643 -177.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.8 -52.01 67.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 60.100000000000001 111.855 -176.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -64.82 -43.57 92.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.254 -0.43 . . . . 63.32 110.507 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.409 ' HB2' ' HB3' ' A' ' 64' ' ' SER . . . -58.41 -47.85 82.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.605 -0.725 . . . . 63.340000000000003 111.503 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.579 ' O ' ' HD3' ' A' ' 75' ' ' LYS . 54.4 mtmt -56.83 -46.67 81.52 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.116 0.484 . . . . 63.43 110.335 175.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -54.04 -48.6 70.38 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.022 -0.99 . . . . 73.120000000000005 111.179 -176.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.471 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 48.9 mt -58.37 -56.97 12.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.419 -0.81 . . . . 71.439999999999998 111.675 -177.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.441 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.6 ptt? -64.34 -38.32 90.62 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.878 -0.329 . . . . 74.040000000000006 111.074 -176.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.647 ' HA ' HG21 ' A' ' 5' ' ' ILE . 5.6 mptp? -54.02 -51.15 64.93 Favored 'General case' 0 CA--C 1.526 0.057 0 CA-C-O 120.818 0.342 . . . . 73.349999999999994 110.359 177.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -62.2 -24.47 67.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.775 -0.648 . . . . 75.310000000000002 111.912 -178.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.572 ' NE ' ' HA ' ' A' ' 77' ' ' ARG . 3.4 mmp_? -64.88 -63.74 1.04 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.561 -0.29 . . . . 75.409999999999997 111.38 -178.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.75 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -65.33 -30.74 71.62 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.303 -0.559 . . . . 75.209999999999994 110.303 178.632 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.08 -47.17 68.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.693 -0.685 . . . . 73.120000000000005 109.888 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -66.69 -33.69 76.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.105 -0.498 . . . . 63.210000000000001 111.071 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.576 ' HG ' ' HB2' ' A' ' 86' ' ' SER . 5.6 mp -67.1 -41.27 86.56 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.028 -0.533 . . . . 61.210000000000001 111.35 -177.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.603 HD21 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -81.55 -19.5 41.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.856 0.36 . . . . 63.020000000000003 111.465 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -80.47 -47.47 14.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.146 0.498 . . . . 63.310000000000002 110.911 175.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -87.29 -14.16 41.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.685 -0.688 . . . . 72.299999999999997 110.138 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 65.11 54.3 1.25 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.087 -0.96 . . . . 72.450000000000003 110.633 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.576 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 8.3 m -87.53 136.17 33.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.818 -1.083 . . . . 73.239999999999995 109.779 176.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -71.52 -2.42 16.79 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.212 0.449 . . . . 73.140000000000001 112.212 -172.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.466 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -64.29 -39.13 93.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.749 0.309 . . . . 63.310000000000002 110.732 -177.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.75 HD22 ' HB3' ' A' ' 78' ' ' LEU . 15.8 tp -105.55 -13.79 15.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.212 0.53 . . . . 64.310000000000002 111.004 175.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.6 mt -116.22 25.65 10.5 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 112.999 0.74 . . . . 74.5 112.999 -170.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -75.85 161.25 29.15 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.763 -0.375 . . . . 75.040000000000006 111.184 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.7 t -89.07 145.86 25.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.187 0.518 . . . . 54.329999999999998 110.165 178.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 16.8 p -150.62 156.82 42.12 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.83 -0.623 . . . . 31.420000000000002 109.712 -177.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -93.27 78.51 4.49 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.408 -0.517 . . . . 75.299999999999997 110.902 174.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 20.2 m -89.84 -14.7 33.81 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 119.946 -0.702 . . . . 51.409999999999997 109.182 163.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.607 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 0.1 OUTLIER -156.82 -44.48 0.07 Allowed 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.327 -0.852 . . . . 64.519999999999996 110.08 176.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.48 ' CD2' ' HG3' ' A' ' 96' ' ' LYS . 38.4 p90 -153.38 159.54 42.45 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.019 -0.363 . . . . 75.120000000000005 110.019 175.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.6 p 177.75 148.86 0.17 Allowed 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.892 0.745 . . . . 74.340000000000003 110.657 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt 72.07 -36.65 0.37 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.101 0.778 . . . . 61.229999999999997 113.101 173.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 101' ' ' LYS . 13.1 tmtt? -64.55 147.1 53.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.851 0.357 . . . . 73.319999999999993 110.15 -177.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.681 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 1.5 mptp? . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.666 -0.683 . . . . 73.430000000000007 110.84 -175.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 mmt . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 120.358 0.123 . . . . 63.049999999999997 110.669 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.467 ' HA ' ' HD3' ' A' ' 2' ' ' LYS . 71.0 mmtt 74.96 116.1 0.06 Allowed 'General case' 0 C--O 1.233 0.234 0 O-C-N 124.198 0.936 . . . . 73.120000000000005 112.043 174.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 107.76 -146.71 16.31 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 114.848 -1.069 . . . . 71.019999999999996 111.541 -177.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -125.28 138.14 54.08 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.157 0.503 . . . . 51.219999999999999 110.16 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.632 HG13 ' O ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -64.84 -29.86 48.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.452 -0.794 . . . . 73.030000000000001 111.807 -174.31 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.414 ' HA ' HG12 ' A' ' 9' ' ' VAL . 6.5 mt-10 -69.49 -29.98 67.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.037 -0.356 . . . . 63.420000000000002 110.037 -176.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -65.39 -45.07 85.49 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.939 -0.573 . . . . 73.129999999999995 109.501 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 60.1 mmtt -62.12 -49.03 77.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.514 -0.766 . . . . 51.0 111.181 -175.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' A' ' 6' ' ' GLU . 7.7 p -65.11 -40.97 90.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.869 -0.605 . . . . 61.219999999999999 111.644 -175.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -68.7 -35.83 77.68 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.402 -0.592 . . . . 73.239999999999995 109.402 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 9.0 mm-40 -51.4 -55.42 18.72 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.575 -0.739 . . . . 65.25 112.279 -175.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.456 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -85.58 -39.11 17.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.669 -0.696 . . . . 52.32 111.628 -174.451 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.436 ' H ' HD12 ' A' ' 12' ' ' LEU . 25.6 mt -62.35 -45.36 93.52 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.193 0.442 . . . . 73.329999999999998 112.193 -177.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -25.99 66.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.016 0.436 . . . . 73.150000000000006 110.132 179.09 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -74.15 -42.75 59.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.716 -0.675 . . . . 72.519999999999996 110.046 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 7.1 mt-30 -67.08 -13.22 61.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.47 -0.786 . . . . 63.439999999999998 110.432 177.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.553 ' HA3' ' CD ' ' A' ' 96' ' ' LYS . . . 94.07 30.48 8.79 Favored Glycine 0 N--CA 1.436 -1.347 0 CA-C-N 115.621 -0.718 . . . . 43.439999999999998 112.211 178.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.402 ' C ' ' HE1' ' A' ' 21' ' ' PHE . 4.8 t -100.29 142.96 31.06 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.839 -0.43 . . . . 62.450000000000003 109.839 175.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -125.02 -14.83 6.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.649 0.738 . . . . 73.439999999999998 110.118 170.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -86.21 81.45 8.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.506 -0.77 . . . . 73.420000000000002 110.742 -175.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.507 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 28.0 p90 -169.98 152.05 4.25 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.079 -0.964 . . . . 60.25 110.196 175.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.04 157.6 19.84 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.993 -0.622 . . . . 61.030000000000001 111.654 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -88.64 143.22 27.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.786 0.327 . . . . 63.329999999999998 111.422 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.36 133.07 56.38 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.24 -0.652 . . . . 52.119999999999997 109.24 174.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.6 p -130.87 98.81 4.72 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.916 -0.584 . . . . 72.209999999999994 110.335 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.7 p -139.2 140.89 37.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.884 -0.598 . . . . 62.210000000000001 109.579 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.6 mt -79.99 129.88 36.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.166 0.507 . . . . 75.319999999999993 109.892 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -121.98 97.07 5.31 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.491 -0.777 . . . . 75.150000000000006 109.232 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.767 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 8.2 pt-20 -76.36 143.91 40.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.185 -0.916 . . . . 73.439999999999998 111.156 -175.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.2 t -115.57 84.13 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.695 -0.684 . . . . 72.099999999999994 109.597 -177.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.521 ' HB3' HD22 ' A' ' 44' ' ' LEU . 11.8 tptp -177.13 -165.88 0.13 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.726 -1.212 . . . . 44.399999999999999 107.726 -176.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.1 m -62.86 101.75 0.29 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.991 -0.374 . . . . 55.340000000000003 109.991 174.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.8 m -69.83 -29.73 67.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.262 0.553 . . . . 54.32 109.892 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -83.29 45.52 1.04 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.524 -0.762 . . . . 63.32 109.7 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -60.68 150.58 31.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.569 -0.742 . . . . 71.239999999999995 111.422 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.6 t -74.93 -6.01 46.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.72 -0.673 . . . . 64.329999999999998 112.066 -173.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.9 mt 58.55 93.3 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.209 0.528 . . . . 64.239999999999995 110.4 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.632 HD21 ' HB2' ' A' ' 41' ' ' GLU . 2.7 pt? -144.4 -150.56 0.33 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.936 -0.575 . . . . 75.5 110.234 -171.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.595 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 27.6 t-20 -83.03 -67.61 0.77 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.811 -0.631 . . . . 72.030000000000001 111.505 177.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.9 p -75.41 -64.02 1.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.48 0.548 . . . . 60.030000000000001 112.48 -172.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.632 ' HB2' HD21 ' A' ' 38' ' ' LEU . 2.5 mp0 -72.87 15.74 0.19 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.754 0.65 . . . . 75.439999999999998 112.754 -177.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.504 ' HB2' ' O ' ' A' ' 38' ' ' LEU . 3.2 tm? -63.89 -45.67 88.34 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.699 -0.852 . . . . 70.409999999999997 108.699 173.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -114.15 85.27 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.191 -0.913 . . . . 75.209999999999994 110.211 177.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.521 HD22 ' HB3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -88.38 -169.87 2.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.254 -0.885 . . . . 51.43 110.839 -179.695 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.9 m -58.72 107.16 0.48 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.158 0.504 . . . . 63.520000000000003 111.045 -178.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.767 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -124.67 153.57 42.11 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.911 -0.586 . . . . 73.219999999999999 110.103 -178.545 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -130.08 150.9 51.14 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.698 -0.482 . . . . 75.099999999999994 109.698 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -88.84 113.29 24.23 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.248 -0.433 . . . . 73.239999999999995 109.947 177.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.05 81.33 1.6 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.905 -0.664 . . . . 73.409999999999997 111.974 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.574 ' HB3' ' SD ' ' A' ' 74' ' ' MET . 12.1 m-85 -83.39 134.32 34.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.933 0.397 . . . . 75.099999999999994 110.229 174.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.493 ' HB3' HD12 ' A' ' 58' ' ' ILE . 16.0 m -154.77 153.86 31.89 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.298 -0.41 . . . . 71.549999999999997 110.459 177.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.574 ' CG ' HD21 ' A' ' 78' ' ' LEU . 33.2 t80 -110.19 121.88 46.32 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.549 -0.538 . . . . 62.439999999999998 109.549 174.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -92.07 141.01 29.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.645 -0.707 . . . . 42.329999999999998 111.194 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.516 ' HB3' HG23 ' A' ' 59' ' ' VAL . 13.8 tpt180 -145.31 104.08 3.9 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.262 -0.881 . . . . 73.129999999999995 109.647 -178.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 61.67 24.37 14.49 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.734 0.302 . . . . 70.239999999999995 111.557 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.86 -2.68 80.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 62.210000000000001 111.869 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -100.1 177.16 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.657 -0.498 . . . . 63.200000000000003 109.657 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.493 HD12 ' HB3' ' A' ' 51' ' ' SER . 13.9 mm -117.02 113.23 42.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.057 -0.52 . . . . 75.340000000000003 110.196 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.694 HG11 HD13 ' A' ' 89' ' ' LEU . 77.5 t -90.65 -36.95 8.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.582 -0.735 . . . . 73.340000000000003 109.849 176.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -127.33 136.24 51.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.739 -0.664 . . . . 63.43 110.676 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -138.51 128.43 25.3 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.045 -0.525 . . . . 72.019999999999996 109.813 174.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.42 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -147.64 92.34 0.15 Allowed Glycine 0 N--CA 1.442 -0.953 0 CA-C-N 115.834 -0.621 . . . . 64.209999999999994 111.63 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HE2' ' HB3' ' A' ' 63' ' ' LYS . 36.4 ttpt -100.01 117.53 34.49 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.825 -0.435 . . . . 71.319999999999993 109.825 177.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.1 t -144.8 164.3 31.47 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.924 0.393 . . . . 64.439999999999998 110.769 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -69.69 -30.61 68.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.7 -0.682 . . . . 64.409999999999997 110.498 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -101.39 133.5 45.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.749 -0.659 . . . . 61.310000000000002 109.965 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.454 HG23 ' HE2' ' A' ' 50' ' ' PHE . 7.4 p -59.36 -45.16 93.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.921 -0.581 . . . . 51.43 111.366 -175.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.64 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . . . -69.16 -34.29 74.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.212 -0.449 . . . . 75.109999999999999 111.726 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -71.49 -44.56 64.48 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.791 -0.448 . . . . 71.319999999999993 109.791 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.544 ' HA ' HD12 ' A' ' 73' ' ' ILE . . . -54.47 -47.76 72.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.05 0.928 . . . . 63.310000000000002 110.232 174.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.64 ' HE2' ' HA ' ' A' ' 68' ' ' ALA . 30.2 ttpt -61.84 -42.72 99.38 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 113.609 -1.632 . . . . 73.010000000000005 110.226 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -55.84 -48.09 76.09 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.804 -0.635 . . . . 64.420000000000002 110.858 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.544 HD12 ' HA ' ' A' ' 70' ' ' ALA . 45.0 mt -57.32 -54.18 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.609 -0.723 . . . . 72.140000000000001 111.37 -177.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.574 ' SD ' ' HB3' ' A' ' 50' ' ' PHE . 2.7 ptt? -63.58 -39.03 93.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.428 -0.351 . . . . 73.319999999999993 110.538 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.632 ' O ' HG13 ' A' ' 5' ' ' ILE . 56.2 mttm -57.91 -47.65 82.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 121.021 -0.272 . . . . 74.450000000000003 110.918 178.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -60.32 -26.29 66.44 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.778 0.288 . . . . 73.219999999999999 111.778 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 4.0 mmp_? -62.56 -60.8 3.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.402 -0.363 . . . . 62.350000000000001 110.844 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.769 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -69.99 -33.58 72.23 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.034 -0.666 . . . . 74.120000000000005 110.166 178.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -51.74 -51.03 59.27 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.851 -0.613 . . . . 73.109999999999999 109.881 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 14.6 mmmt -65.69 -33.84 76.82 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.928 -0.578 . . . . 74.129999999999995 111.443 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.565 HD23 ' HB2' ' A' ' 89' ' ' LEU . 4.2 mp -64.41 -43.63 93.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.511 -0.313 . . . . 75.129999999999995 111.388 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.523 HD21 HD11 ' A' ' 5' ' ' ILE . 0.8 OUTLIER -77.62 -31.5 52.87 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.922 -0.311 . . . . 74.25 111.531 -179.332 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -73.4 -44.16 59.01 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.083 0.468 . . . . 73.040000000000006 111.037 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -83.57 -18.33 38.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.785 -0.643 . . . . 74.5 110.311 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm 67.67 46.3 1.34 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.123 -0.944 . . . . 62.219999999999999 110.662 -177.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.482 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 5.2 m -78.71 134.69 37.07 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 114.501 -1.227 . . . . 64.200000000000003 109.933 174.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -69.2 -3.19 12.64 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.499 0.555 . . . . 62.450000000000003 112.499 -174.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.406 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.8 mm? -64.18 -39.56 94.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.579 0.228 . . . . 73.430000000000007 111.156 -176.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.769 HD22 ' HB3' ' A' ' 78' ' ' LEU . 21.4 tp -105.42 -12.98 15.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.603 0.716 . . . . 63.43 111.08 176.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.497 HD11 ' HA ' ' A' ' 82' ' ' LEU . 14.6 mt -114.78 21.6 14.25 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.807 -0.633 . . . . 65.120000000000005 112.68 -170.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -71.96 159.01 34.96 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.862 0.363 . . . . 74.140000000000001 110.755 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.7 p -84.82 136.75 33.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.855 -0.611 . . . . 75.219999999999999 110.332 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.6 p -136.39 174.26 10.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.113 -0.494 . . . . 75.030000000000001 109.959 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -113.39 66.33 0.66 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.802 0.334 . . . . 75.409999999999997 111.241 -177.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 42.3 m -89.2 -1.2 57.98 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.357 -0.537 . . . . 53.5 110.642 170.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.553 ' CD ' ' HA3' ' A' ' 17' ' ' GLY . 21.4 ptmt -158.07 -45.66 0.06 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.201 -0.454 . . . . 74.120000000000005 110.308 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.437 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 28.2 p90 -164.38 163.54 22.37 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.279 -0.637 . . . . 72.409999999999997 109.279 176.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.5 p -179.05 174.08 1.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.882 0.739 . . . . 75.239999999999995 110.405 173.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.7 mmtt -94.94 -30.98 13.87 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.098 -0.704 . . . . 74.530000000000001 109.098 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.599 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 2.0 tpmt? -97.46 125.39 42.1 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.474 -0.785 . . . . 72.420000000000002 109.949 176.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.286 -0.864 . . . . 74.129999999999995 109.281 179.106 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.5 ttp . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.734 0.302 . . . . 74.109999999999999 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.462 ' HE3' ' HB2' ' A' ' 2' ' ' LYS . 20.5 ptmt -93.14 -177.87 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.121 0.486 . . . . 65.209999999999994 111.136 -177.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 133.24 173.06 13.15 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 111.417 -0.673 . . . . 62.140000000000001 111.417 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -80.07 139.69 36.8 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.688 -0.486 . . . . 75.25 109.688 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.708 HG22 ' HG2' ' A' ' 75' ' ' LYS . 4.7 tp -70.5 -25.8 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.614 -0.266 . . . . 53.229999999999997 111.154 -175.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.15 -32.33 73.86 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.483 -0.562 . . . . 73.209999999999994 109.483 -178.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.665 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 22.3 t60 -66.53 -52.36 46.58 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.159 -0.682 . . . . 73.099999999999994 109.159 174.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HG2' ' H ' ' A' ' 8' ' ' LYS . 57.5 mmtt -59.57 -51.02 71.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.396 -0.82 . . . . 63.5 111.464 -174.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.489 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 11.1 p -62.36 -38.2 80.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.912 -0.585 . . . . 73.120000000000005 111.241 -175.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.571 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 14.4 m-30 -69.49 -34.12 73.86 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.518 -0.549 . . . . 71.120000000000005 109.518 177.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.665 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 17.4 mm-40 -56.69 -51.16 69.85 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.124 -0.489 . . . . 74.310000000000002 112.175 -174.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.54 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -87.35 -40.16 14.68 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.335 -0.393 . . . . 74.540000000000006 111.853 -176.002 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.54 ' H ' HD12 ' A' ' 12' ' ' LEU . 18.9 mt -61.11 -45.16 95.85 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.103 0.408 . . . . 74.239999999999995 112.103 -177.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 63.0 pttt -64.36 -30.63 71.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.032 0.444 . . . . 73.329999999999998 109.813 177.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -69.91 -41.47 74.64 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.908 -0.587 . . . . 71.219999999999999 110.74 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 9.2 mt-30 -66.65 -6.28 14.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.564 -0.744 . . . . 73.510000000000005 110.789 177.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.486 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 88.95 33.36 9.79 Favored Glycine 0 N--CA 1.439 -1.139 0 C-N-CA 120.87 -0.681 . . . . 55.450000000000003 111.404 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.4 t -107.5 133.12 52.44 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.585 -0.446 . . . . 61.310000000000002 111.15 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -133.82 68.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.185 -0.672 . . . . 64.209999999999994 109.185 165.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.618 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 15.5 t70 -159.27 76.65 0.7 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.484 -0.78 . . . . 74.230000000000004 109.326 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.546 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 22.2 p90 -171.34 147.54 2.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.401 -0.818 . . . . 72.430000000000007 110.671 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.71 167.85 39.9 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 116.097 -0.501 . . . . 65.049999999999997 111.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.5 p -98.13 135.29 40.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.934 0.367 . . . . 71.319999999999993 111.105 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.38 129.7 55.24 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.254 -0.647 . . . . 72.150000000000006 109.254 176.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.6 p -128.13 108.36 10.58 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.008 -0.542 . . . . 54.109999999999999 110.538 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.26 143.66 29.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.656 -0.702 . . . . 73.540000000000006 109.556 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.6 mt -82.51 132.34 31.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 121.043 0.449 . . . . 64.0 111.108 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -113.46 101.54 9.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.545 -0.752 . . . . 51.509999999999998 109.062 176.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.455 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -73.6 133.84 43.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.658 -0.701 . . . . 64.150000000000006 110.366 -179.08 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.0 t -96.4 86.84 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.097 0.475 . . . . 73.0 110.286 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.689 ' HA ' HD21 ' A' ' 44' ' ' LEU . 8.6 pttm -80.85 77.56 7.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.6 0.714 . . . . 74.150000000000006 110.322 176.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.8 t -99.61 7.11 45.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.947 -1.024 . . . . 31.329999999999998 109.754 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.1 t -108.88 -168.67 1.37 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.673 -0.694 . . . . 73.329999999999998 109.873 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -74.12 160.01 31.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.361 -0.382 . . . . 74.120000000000005 110.562 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -64.62 153.21 40.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.895 -0.593 . . . . 65.230000000000004 111.987 -171.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 p -91.04 129.38 37.05 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.598 -0.728 . . . . 62.409999999999997 110.814 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.2 tp -131.55 51.99 2.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.559 0.695 . . . . 63.409999999999997 109.379 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.512 HD21 ' H ' ' A' ' 42' ' ' LEU . 2.2 pt? -122.8 -163.26 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.13 -0.941 . . . . 73.019999999999996 109.3 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -44.97 -70.22 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.694 0.621 . . . . 74.540000000000006 111.427 176.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.1 -151.58 0.48 Allowed 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.13 -1.063 . . . . 75.230000000000004 108.13 175.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 41' ' ' GLU . 1.0 OUTLIER -92.32 116.19 28.74 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.516 -0.92 . . . . 70.040000000000006 108.516 166.001 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.512 ' H ' HD21 ' A' ' 38' ' ' LEU . 3.6 pp -51.91 166.09 0.17 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.278 -0.874 . . . . 75.109999999999999 111.964 178.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 -67.4 98.57 0.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.554 0.693 . . . . 64.420000000000002 110.271 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.689 HD21 ' HA ' ' A' ' 31' ' ' LYS . 47.7 tp -96.97 167.83 10.84 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.952 -1.022 . . . . 74.129999999999995 110.842 -173.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.494 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 23.6 m -62.26 109.98 1.49 Allowed 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.411 -0.588 . . . . 70.420000000000002 109.411 172.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -122.19 153.61 38.57 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.154 -0.475 . . . . 74.230000000000004 110.602 -174.322 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -125.71 146.41 49.76 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.824 -0.625 . . . . 75.109999999999999 109.804 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 15.5 m-85 -87.83 116.84 26.26 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 120.904 0.383 . . . . 70.25 110.3 176.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.53 84.64 1.32 Allowed Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.763 -0.653 . . . . 62.329999999999998 111.796 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.651 ' HE1' HG23 ' A' ' 67' ' ' VAL . 3.1 m-85 -84.13 137.54 33.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.823 0.344 . . . . 55.32 110.628 177.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.523 ' HB3' HD12 ' A' ' 58' ' ' ILE . 11.6 m -154.44 150.36 27.78 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.188 -0.46 . . . . 53.119999999999997 110.386 176.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.557 ' CG ' HD21 ' A' ' 78' ' ' LEU . 65.7 t80 -106.62 122.74 46.94 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.7 -0.481 . . . . 72.5 109.7 174.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -95.9 134.57 38.74 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.963 0.79 . . . . 74.400000000000006 110.75 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.546 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.7 OUTLIER -143.42 104.22 4.21 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.791 -0.818 . . . . 72.219999999999999 108.791 177.06 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.618 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 5.2 m-70 64.32 24.2 13.22 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.831 -0.622 . . . . 71.150000000000006 111.983 -175.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.71 -7.73 77.04 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.652 -0.785 . . . . 62.229999999999997 112.5 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -92.06 168.57 11.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.504 -0.554 . . . . 65.540000000000006 109.504 177.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.523 HD12 ' HB3' ' A' ' 51' ' ' SER . 20.3 mm -108.25 106.18 20.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.683 -0.69 . . . . 55.149999999999999 110.079 178.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.634 HG11 HD13 ' A' ' 89' ' ' LEU . 88.8 t -85.56 -37.17 11.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 CA-C-N 114.994 -1.003 . . . . 72.420000000000002 109.966 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -129.4 137.78 51.11 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 115.699 -0.682 . . . . 72.099999999999994 110.949 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.435 ' HD1' ' HG ' ' A' ' 51' ' ' SER . 61.2 t80 -138.07 130.1 28.63 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.51 -0.552 . . . . 61.119999999999997 109.51 173.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.408 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -152.61 95.6 0.16 Allowed Glycine 0 N--CA 1.44 -1.074 0 C-N-CA 120.821 -0.704 . . . . 63.340000000000003 111.768 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 31.0 ttpt -98.72 133.67 42.72 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 110.275 -0.269 . . . . 70.420000000000002 110.275 176.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.1 m -149.28 165.82 30.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.91 0.386 . . . . 73.049999999999997 111.283 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -62.64 -31.86 72.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.549 -0.751 . . . . 73.129999999999995 110.159 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -118.95 145.65 45.61 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.762 -0.654 . . . . 63.350000000000001 110.871 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.651 HG23 ' HE1' ' A' ' 50' ' ' PHE . 7.4 p -61.46 -39.32 82.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.432 -0.804 . . . . 52.539999999999999 112.22 -173.029 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.96 -29.44 58.28 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.932 0.345 . . . . 61.299999999999997 111.932 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -73.57 -40.12 64.15 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.967 -0.753 . . . . 64.420000000000002 108.967 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 62' ' ' GLY . . . -59.39 -43.04 92.99 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.812 -1.085 . . . . 74.129999999999995 110.416 176.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.558 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 87.6 mttt -55.48 -49.44 72.52 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 115.545 -0.752 . . . . 74.340000000000003 110.567 173.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.451 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 47.2 t80 -52.95 -50.19 64.54 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.127 -0.942 . . . . 65.439999999999998 111.107 -174.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 35.3 mt -62.2 -48.82 86.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.824 -0.626 . . . . 52.509999999999998 110.913 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.48 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 54.3 ttp -53.4 -51.22 63.26 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.634 -0.712 . . . . 74.319999999999993 110.665 175.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.708 ' HG2' HG22 ' A' ' 5' ' ' ILE . 65.3 mttm -63.53 -40.93 98.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.485 -0.78 . . . . 70.129999999999995 111.668 -176.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 28.6 mm-40 -62.64 -28.86 70.2 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.503 0.192 . . . . 71.25 111.382 178.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 74' ' ' MET . 13.3 mmm180 -57.75 -65.23 0.67 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.502 -0.317 . . . . 75.150000000000006 110.74 176.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.757 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -66.12 -33.03 74.85 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.128 -0.629 . . . . 73.109999999999999 110.51 -178.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -51.69 -49.28 62.72 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.987 -0.552 . . . . 64.109999999999999 110.776 -178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -69.69 -32.06 70.45 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.81 -0.356 . . . . 34.350000000000001 110.954 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.59 ' HG ' ' HB2' ' A' ' 86' ' ' SER . 4.9 mp -64.38 -41.52 96.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.42 -0.354 . . . . 73.430000000000007 111.665 -178.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.673 HD21 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -79.8 -22.75 42.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.685 0.279 . . . . 75.200000000000003 111.699 -178.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -82.16 -38.82 24.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.205 0.526 . . . . 65.329999999999998 110.537 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -89.15 -15.6 33.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.465 -0.789 . . . . 72.409999999999997 110.256 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp 67.26 43.25 2.08 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.295 -0.866 . . . . 73.340000000000003 110.757 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.59 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 7.8 m -78.16 131.59 37.26 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 114.852 -1.067 . . . . 71.109999999999999 110.247 178.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -63.78 -9.52 15.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.162 -0.472 . . . . 63.140000000000001 111.967 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.46 HD23 ' HB3' ' A' ' 86' ' ' SER . 2.7 mm? -58.81 -43.81 90.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.677 -0.238 . . . . 73.409999999999997 111.263 -177.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.757 HD22 ' HB3' ' A' ' 78' ' ' LEU . 27.9 tp -100.88 -24.61 14.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.413 0.625 . . . . 64.420000000000002 110.952 175.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.455 HD11 ' HA ' ' A' ' 82' ' ' LEU . 8.5 mt -107.99 25.48 11.53 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 113.03 0.752 . . . . 74.519999999999996 113.03 -167.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -73.0 160.5 32.0 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 120.148 -0.621 . . . . 75.430000000000007 110.739 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.4 t -84.23 141.07 31.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.509 -0.769 . . . . 55.420000000000002 110.132 -178.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.1 p -139.64 169.57 17.49 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.729 -0.669 . . . . 73.129999999999995 109.577 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -108.79 68.02 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.578 0.228 . . . . 72.109999999999999 111.155 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 16.7 m -84.66 -26.7 27.61 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.079 -0.648 . . . . 74.200000000000003 110.373 170.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.469 ' CD ' ' HA3' ' A' ' 17' ' ' GLY . 20.9 ptmt -126.34 -40.61 1.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 74.239999999999995 109.969 176.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.426 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 24.7 p90 -172.52 178.76 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.886 -0.783 . . . . 73.5 108.886 176.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.4 m -157.7 159.53 36.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 123.455 0.472 . . . . 73.209999999999994 110.239 168.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? 57.63 53.31 7.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.395 -0.82 . . . . 72.409999999999997 112.343 166.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -47.32 86.97 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 107.884 -1.154 . . . . 75.209999999999994 107.884 167.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.525 ' HA ' ' HD2' ' A' ' 101' ' ' LYS . 14.9 tptp . . . . . 0 C--O 1.254 1.339 0 CA-C-N 114.493 -1.231 . . . . 70.219999999999999 110.084 169.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptm . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.352 0.12 . . . . 73.540000000000006 111.045 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.521 ' HD2' ' HB2' ' A' ' 4' ' ' ASP . 18.8 ptpt -119.3 -9.4 9.93 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.701 -0.399 . . . . 74.530000000000001 111.411 -176.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.07 41.29 71.17 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.549 -0.834 . . . . 44.32 111.403 -176.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.521 ' HB2' ' HD2' ' A' ' 2' ' ' LYS . 25.2 t70 -70.62 143.11 51.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.303 0.573 . . . . 72.239999999999995 111.734 -175.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.58 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -75.75 -30.43 21.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 114.967 -1.015 . . . . 75.340000000000003 111.229 -173.564 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.55 ' OE1' HG22 ' A' ' 5' ' ' ILE . 1.2 mp0 -68.03 -37.61 81.57 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.106 -0.702 . . . . 52.439999999999998 109.106 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.644 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 17.2 t-80 -56.34 -43.2 78.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.947 -1.024 . . . . 75.340000000000003 109.273 174.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 66.8 mmtt -63.21 -51.08 67.72 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.817 -0.628 . . . . 73.230000000000004 110.843 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.744 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 57.4 t -53.97 -41.82 51.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.833 -0.621 . . . . 72.239999999999995 110.501 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.642 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 3.6 m-30 -65.73 -50.31 65.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.907 -0.588 . . . . 73.310000000000002 110.123 178.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.644 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 27.5 mm-40 -49.06 -45.0 42.28 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.282 0.845 . . . . 72.430000000000007 113.282 -173.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.507 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -94.85 -41.62 9.12 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.189 0.44 . . . . 63.32 112.189 -174.617 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.579 HD22 ' NH2' ' A' ' 54' ' ' ARG . 22.7 mt -65.5 -42.4 92.17 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.093 0.405 . . . . 72.540000000000006 112.093 -175.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.642 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 58.0 pttt -64.85 -25.41 67.89 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.893 -0.323 . . . . 71.329999999999998 110.558 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -73.22 -45.45 56.04 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.034 0.445 . . . . 71.230000000000004 110.444 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -62.86 -25.31 68.22 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.413 -0.812 . . . . 65.319999999999993 110.204 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.632 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 115.1 39.0 0.98 Allowed Glycine 0 N--CA 1.434 -1.48 0 CA-C-N 115.272 -0.876 . . . . 54.049999999999997 111.802 -178.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.553 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.7 t -125.6 135.45 52.21 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.265 -0.574 . . . . 52.340000000000003 111.171 175.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.53 -7.55 9.66 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.49 0.662 . . . . 72.329999999999998 109.54 170.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.477 ' OD1' ' HA ' ' A' ' 55' ' ' HIS . 14.1 t70 -91.32 81.91 5.46 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 115.325 -0.852 . . . . 74.349999999999994 111.329 -172.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.714 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 11.4 p90 -166.51 155.54 10.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.016 -0.993 . . . . 75.120000000000005 110.366 176.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.54 178.29 48.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.079 -0.581 . . . . 71.329999999999998 111.649 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.8 p -106.66 149.09 27.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.852 0.358 . . . . 70.140000000000001 111.088 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.4 pttt -129.97 143.12 50.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.116 0.484 . . . . 73.299999999999997 110.221 173.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.0 t -119.05 92.06 3.71 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.927 -0.768 . . . . 73.340000000000003 108.927 174.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.7 p -99.82 108.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.652 0.739 . . . . 64.450000000000003 110.142 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.0 mt -66.73 127.76 28.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.686 -0.688 . . . . 62.310000000000002 110.682 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -114.97 100.9 8.54 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.241 -0.89 . . . . 75.019999999999996 109.88 175.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.707 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 1.2 pm0 -75.47 107.91 7.92 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.245 -0.65 . . . . 73.219999999999999 109.245 176.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.2 t -65.92 107.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.845 -0.616 . . . . 71.5 110.407 -175.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.475 ' HA ' HD21 ' A' ' 44' ' ' LEU . 22.8 ttpp -74.25 81.16 1.83 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.206 -0.906 . . . . 62.340000000000003 110.712 -177.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.3 t -87.03 129.16 35.01 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.342 -0.845 . . . . 63.299999999999997 109.474 176.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 34' ' ' HIS . 36.8 m -79.29 172.57 13.61 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.203 -0.453 . . . . 73.040000000000006 110.49 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' A' ' 33' ' ' SER . 77.0 m-70 71.91 30.05 2.32 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.545 0.688 . . . . 44.420000000000002 109.851 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' H ' ' HG2' ' A' ' 35' ' ' LYS . 46.6 pttt -91.78 174.47 7.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.207 -0.906 . . . . 64.239999999999995 110.423 178.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.6 t -75.27 145.55 41.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.23 0.538 . . . . 60.439999999999998 111.632 -176.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.5 mt -115.7 123.12 47.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.726 -0.67 . . . . 75.450000000000003 109.922 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.861 ' HG ' ' H ' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -140.29 -69.26 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.092 0.472 . . . . 62.130000000000003 110.6 -176.239 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.861 ' H ' ' HG ' ' A' ' 38' ' ' LEU . 25.6 t-20 -145.3 -75.84 0.22 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.629 -1.249 . . . . 64.310000000000002 107.629 177.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 p -102.98 158.13 16.5 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 107.27 -1.382 . . . . 71.120000000000005 107.27 160.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -66.0 99.02 0.46 Allowed 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.156 -0.683 . . . . 62.329999999999998 109.156 174.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.47 ' H ' HD21 ' A' ' 38' ' ' LEU . 1.9 tm? -24.5 -73.0 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 O-C-N 125.049 1.468 . . . . 73.120000000000005 112.594 -174.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -147.84 105.97 3.74 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.756 -0.461 . . . . 75.439999999999998 109.756 176.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.516 HD23 ' HB2' ' A' ' 29' ' ' GLU . 40.4 tp -77.23 142.44 39.54 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.938 -0.574 . . . . 74.109999999999999 109.841 178.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.6 m -64.5 105.43 0.95 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.302 0.572 . . . . 72.329999999999998 110.29 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.707 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -106.17 152.15 23.83 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.811 -0.631 . . . . 74.230000000000004 110.649 -176.177 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -124.93 147.1 49.03 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.781 -0.645 . . . . 74.310000000000002 110.113 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.453 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 4.1 m-30 -84.54 108.67 17.43 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.243 -0.435 . . . . 64.430000000000007 110.441 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.05 77.42 1.98 Allowed Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.358 -0.697 . . . . 44.340000000000003 111.358 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.554 ' CE2' HG23 ' A' ' 67' ' ' VAL . 6.2 m-85 -72.11 131.98 43.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.764 0.316 . . . . 73.219999999999999 110.307 177.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.525 ' HB3' HD12 ' A' ' 58' ' ' ILE . 3.7 m -144.22 147.2 33.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.578 -0.283 . . . . 54.329999999999998 110.304 177.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.744 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 26.7 t80 -104.51 123.27 47.2 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.597 -0.519 . . . . 75.030000000000001 109.597 175.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -96.94 139.34 33.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.351 -0.84 . . . . 73.430000000000007 111.308 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.714 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -147.58 106.22 3.81 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.633 -0.877 . . . . 73.349999999999994 108.633 177.63 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.477 ' HA ' ' OD1' ' A' ' 20' ' ' ASP . 9.9 m-70 63.31 25.46 14.69 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.36 0.413 . . . . 61.119999999999997 112.053 -175.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.12 2.31 89.41 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.335 -0.936 . . . . 44.219999999999999 112.202 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -99.11 171.37 8.06 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.162 -0.681 . . . . 71.25 109.162 175.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.525 HD12 ' HB3' ' A' ' 51' ' ' SER . 22.2 mm -108.74 115.31 49.06 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.803 -0.635 . . . . 74.109999999999999 110.34 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.6 HG11 HD13 ' A' ' 89' ' ' LEU . 74.8 t -96.19 -37.35 7.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.13 -0.941 . . . . 74.439999999999998 109.979 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.453 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -130.75 146.94 52.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.954 -0.567 . . . . 63.030000000000001 110.788 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -148.03 134.88 20.09 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.099 -0.704 . . . . 74.109999999999999 109.099 177.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -157.49 103.99 0.24 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.158 -0.544 . . . . 42.450000000000003 111.759 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 35.8 ttmt -103.68 122.46 45.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.895 0.379 . . . . 70.109999999999999 110.67 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.7 m -146.79 159.74 43.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.11 -0.495 . . . . 52.439999999999998 110.48 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -74.68 -18.17 60.56 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.507 0.67 . . . . 74.439999999999998 109.901 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -110.45 127.62 55.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.554 -0.748 . . . . 75.439999999999998 109.85 176.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.554 HG23 ' CE2' ' A' ' 50' ' ' PHE . 2.7 p -53.03 -41.73 42.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 O-C-N 123.563 0.539 . . . . 74.109999999999999 111.335 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.24 -49.2 78.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 71.319999999999993 111.713 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -67.99 -39.56 83.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.771 0.32 . . . . 62.030000000000001 110.403 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.85 -47.33 86.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.535 . . . . 61.32 110.914 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.497 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 54.4 mtmt -61.76 -40.52 95.44 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 115.841 -0.618 . . . . 73.329999999999998 110.056 176.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.506 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 6.1 t80 -56.06 -49.63 73.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.274 -0.875 . . . . 75.109999999999999 110.998 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 45.2 mt -60.1 -54.65 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.71 -0.677 . . . . 55.240000000000002 111.532 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 3.1 ptt? -61.03 -39.37 89.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.434 -0.348 . . . . 75.25 110.776 -177.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.58 ' HA ' HG21 ' A' ' 5' ' ' ILE . 62.6 mttm -60.35 -45.27 94.08 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 121.18 -0.208 . . . . 54.200000000000003 111.186 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 14.4 mm100 -61.72 -25.89 67.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.726 0.298 . . . . 60.130000000000003 111.178 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.507 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 3.2 mmp_? -62.36 -61.99 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.327 -0.397 . . . . 70.549999999999997 110.685 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.779 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -66.35 -33.83 76.61 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.585 -0.446 . . . . 74.310000000000002 110.377 178.792 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -51.48 -50.76 59.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.745 -0.661 . . . . 71.530000000000001 110.181 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 11.5 mmmt -67.03 -27.62 67.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.393 -0.367 . . . . 72.219999999999999 111.232 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 87.7 mt -72.96 -39.31 66.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.67 -0.241 . . . . 63.420000000000002 111.12 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.558 HD21 HD11 ' A' ' 5' ' ' ILE . 1.7 pp -82.97 -24.11 33.09 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.879 -0.329 . . . . 74.400000000000006 111.541 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -74.66 -47.01 34.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.155 0.503 . . . . 72.129999999999995 110.35 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -82.48 -15.36 52.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.866 -0.607 . . . . 71.519999999999996 110.228 -176.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 85' ' ' LYS . 1.7 mmmp? 63.07 60.74 1.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.077 -0.965 . . . . 73.120000000000005 109.779 -176.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.8 m -103.03 143.39 32.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.876 -1.057 . . . . 72.219999999999999 110.535 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -68.64 -12.63 61.6 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.723 0.638 . . . . 73.129999999999995 112.723 -171.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.511 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -55.45 -37.61 67.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.711 0.291 . . . . 64.430000000000007 111.618 -174.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.779 HD22 ' HB3' ' A' ' 78' ' ' LEU . 24.6 tp -108.04 -27.48 10.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.429 0.633 . . . . 74.109999999999999 110.679 177.201 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.498 HD11 ' HA ' ' A' ' 82' ' ' LEU . 8.5 mt -104.75 18.97 21.3 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.502 -0.772 . . . . 71.540000000000006 112.7 -166.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -68.81 157.77 35.79 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 120.303 -0.559 . . . . 74.340000000000003 110.863 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 t -85.94 144.73 27.48 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.43 -0.804 . . . . 53.130000000000003 109.715 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 98' ' ' SER . 18.4 p -145.51 179.46 7.4 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.66 -0.7 . . . . 71.140000000000001 109.591 -176.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.451 ' OD1' ' HA ' ' A' ' 97' ' ' PHE . 2.3 t30 -113.57 73.1 0.8 Allowed 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.145 0.278 . . . . 63.119999999999997 110.546 178.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.632 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 58.3 m -94.46 2.49 55.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.52 0.676 . . . . 52.32 109.807 167.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.545 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 21.2 ptmt -155.56 -42.43 0.08 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.994 -1.003 . . . . 74.450000000000003 108.572 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.545 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 26.1 p90 -176.18 174.1 2.08 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 107.85 -1.167 . . . . 72.340000000000003 107.85 174.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' ' 93' ' ' CYS . 59.8 p -165.47 178.95 6.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.342 0.591 . . . . 75.329999999999998 111.3 172.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -104.01 144.29 31.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.005 -0.998 . . . . 62.049999999999997 109.854 -174.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -113.98 -169.55 1.54 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.419 0.628 . . . . 71.310000000000002 111.53 -174.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.663 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.783 0 CA-C-N 115.095 -0.957 . . . . 71.400000000000006 108.662 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.988 0.423 . . . . 61.219999999999999 110.234 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -130.05 4.56 4.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.339 -0.391 . . . . 74.519999999999996 110.639 177.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.19 -170.71 14.3 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.047 -0.821 . . . . 34.539999999999999 111.047 -175.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.74 132.69 37.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.553 0.692 . . . . 64.109999999999999 111.252 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.602 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -64.03 -26.9 41.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.806 -1.088 . . . . 70.340000000000003 110.453 -177.2 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.423 ' OE1' HG22 ' A' ' 5' ' ' ILE . 1.9 mp0 -63.4 -38.44 91.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.396 -0.82 . . . . 62.43 110.271 -179.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.724 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 80.9 m80 -65.25 -42.35 93.38 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.675 -0.491 . . . . 61.119999999999997 109.675 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -61.14 -49.48 77.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.767 -0.651 . . . . 73.319999999999993 111.259 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.466 HG11 ' CE2' ' A' ' 52' ' ' PHE . 10.9 p -64.71 -34.19 68.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.029 -0.532 . . . . 74.219999999999999 111.117 -177.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.463 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 19.8 m-30 -67.6 -37.74 82.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.483 -0.562 . . . . 72.420000000000002 109.483 176.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.724 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 26.1 mm-40 -56.46 -52.51 64.42 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.491 -0.777 . . . . 74.030000000000001 112.075 -172.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.471 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -86.87 -39.28 15.97 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.022 -0.536 . . . . 74.140000000000001 111.853 -173.629 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.471 ' H ' HD12 ' A' ' 12' ' ' LEU . 17.3 mt -63.38 -42.22 98.83 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.281 0.474 . . . . 43.020000000000003 112.281 -177.169 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 61.8 pttt -62.92 -32.19 73.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.966 0.412 . . . . 73.099999999999994 110.028 176.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.53 -37.91 74.15 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.765 -0.652 . . . . 71.420000000000002 110.645 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.551 ' HA ' ' HE2' ' A' ' 99' ' ' LYS . 4.4 mt-30 -68.98 -9.14 50.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.49 -0.777 . . . . 72.049999999999997 111.111 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.582 ' HA2' ' HD3' ' A' ' 96' ' ' LYS . . . 93.68 38.53 5.22 Favored Glycine 0 N--CA 1.437 -1.268 0 C-N-CA 120.627 -0.796 . . . . 74.120000000000005 111.445 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 2.9 t -120.16 142.86 48.57 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.709 -0.396 . . . . 72.510000000000005 111.278 175.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.54 3.42 7.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.52 0.676 . . . . 73.319999999999993 109.198 168.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -102.98 84.41 2.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.082 -0.963 . . . . 74.140000000000001 110.584 -171.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.629 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 18.2 p90 -173.11 149.5 1.83 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.727 -0.669 . . . . 71.329999999999998 110.855 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.83 -168.22 35.84 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.605 -0.598 . . . . 73.230000000000004 111.605 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.3 p -123.02 147.38 46.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 117.117 0.458 . . . . 74.120000000000005 110.922 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.53 ' HG2' ' HB2' ' A' ' 51' ' ' SER . 39.8 pttt -108.43 139.07 43.68 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.978 -0.749 . . . . 72.439999999999998 108.978 171.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.7 p -132.55 79.04 1.83 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.48 0.657 . . . . 64.129999999999995 109.689 176.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -118.54 137.58 52.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.315 -0.857 . . . . 74.109999999999999 110.207 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.3 mt -81.53 127.21 39.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 121.281 0.562 . . . . 72.310000000000002 109.839 175.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -120.02 104.8 10.44 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.469 -0.787 . . . . 71.219999999999999 109.524 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.667 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -78.1 133.04 37.93 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.364 -0.835 . . . . 70.329999999999998 109.528 -179.736 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.5 t -90.23 -97.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.395 -0.366 . . . . 30.239999999999998 111.31 -172.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -146.85 143.87 28.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.97 0.414 . . . . 73.099999999999994 111.098 -174.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.634 ' HB2' ' HG ' ' A' ' 44' ' ' LEU . 54.6 m -158.45 -163.0 1.19 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.442 -0.948 . . . . 73.519999999999996 108.442 175.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.1 m -74.54 110.77 9.1 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.759 -0.46 . . . . 72.129999999999995 109.759 172.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -86.64 -0.22 55.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.057 0.456 . . . . 70.239999999999995 110.886 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -81.42 12.42 3.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.15 -0.477 . . . . 73.040000000000006 111.378 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -96.3 122.84 39.6 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.297 0.57 . . . . 74.310000000000002 110.311 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -110.52 96.34 6.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.922 -0.581 . . . . 74.129999999999995 109.574 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.751 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 1.2 pt? -121.66 -32.83 3.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.004 -0.544 . . . . 60.130000000000003 111.568 -175.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 175.0 -82.61 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.447 -0.945 . . . . 70.329999999999998 108.447 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.0 p -104.95 -152.52 0.47 Allowed 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 106.827 -1.546 . . . . 73.450000000000003 106.827 165.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 41' ' ' GLU . 1.0 OUTLIER -85.31 61.08 6.64 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.894 0.854 . . . . 50.109999999999999 109.557 172.309 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.751 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 96.2 mt -75.95 150.6 37.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.772 -0.649 . . . . 73.109999999999999 110.854 -177.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 30.1 m80 62.38 20.36 11.78 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.776 -0.647 . . . . 75.239999999999995 111.996 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.634 ' HG ' ' HB2' ' A' ' 32' ' ' SER . 9.2 tt -90.52 142.87 27.3 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.514 -0.921 . . . . 64.319999999999993 108.514 175.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.3 m -58.38 107.12 0.45 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.113 0.482 . . . . 73.010000000000005 111.023 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.667 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -116.02 154.67 29.46 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.831 -0.622 . . . . 71.019999999999996 110.576 -176.359 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -128.12 150.57 49.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.987 -0.551 . . . . 74.219999999999999 109.965 177.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -87.83 117.09 26.44 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.296 -0.631 . . . . 72.519999999999996 109.296 173.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.01 84.72 1.36 Allowed Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 115.782 -0.645 . . . . 44.25 111.882 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.591 ' HE2' HG23 ' A' ' 67' ' ' VAL . 14.3 m-85 -88.55 127.55 35.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.975 0.416 . . . . 62.340000000000003 110.068 176.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.53 ' HB2' ' HG2' ' A' ' 24' ' ' LYS . 7.3 m -152.37 144.92 24.15 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.195 -0.457 . . . . 74.109999999999999 110.607 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.598 ' CG ' HD21 ' A' ' 78' ' ' LEU . 42.4 t80 -99.83 122.78 43.3 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 116.275 -0.421 . . . . 63.329999999999998 109.885 175.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -96.96 136.6 37.3 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.012 -0.995 . . . . 73.510000000000005 110.933 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.629 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.7 OUTLIER -144.99 104.94 4.03 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.331 -0.989 . . . . 64.140000000000001 108.331 176.756 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 8.5 m-70 68.26 24.32 7.5 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.414 0.446 . . . . 63.450000000000003 111.358 -173.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.43 -5.35 81.32 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.466 -0.873 . . . . 73.209999999999994 112.059 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -89.84 174.07 7.9 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.441 -0.577 . . . . 74.120000000000005 109.441 175.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.527 HD12 ' HB3' ' A' ' 51' ' ' SER . 25.8 mm -113.26 111.58 36.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.877 -0.601 . . . . 75.140000000000001 110.538 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.617 HG11 HD13 ' A' ' 89' ' ' LEU . 93.1 t -91.84 -38.63 10.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-N 115.158 -0.928 . . . . 72.319999999999993 109.852 176.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -126.78 130.86 51.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.642 -0.708 . . . . 74.310000000000002 110.373 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.603 ' HE1' ' HE2' ' A' ' 63' ' ' LYS . 2.8 t80 -134.22 131.51 38.62 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.828 -0.434 . . . . 71.329999999999998 109.828 174.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.81 102.2 0.3 Allowed Glycine 0 N--CA 1.44 -1.046 0 N-CA-C 111.147 -0.781 . . . . 72.219999999999999 111.147 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.603 ' HE2' ' HE1' ' A' ' 61' ' ' TYR . 6.9 tppt? -101.84 118.47 37.0 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.81 -0.441 . . . . 73.420000000000002 109.81 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.503 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 69.8 m -153.16 151.73 30.46 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.367 -0.378 . . . . 62.310000000000002 110.915 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -65.82 -28.63 69.13 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.101 -0.703 . . . . 73.409999999999997 109.101 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.686 ' HD2' ' HB2' ' A' ' 69' ' ' ASN . 40.1 ttmt -91.97 125.06 36.52 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.065 -0.971 . . . . 63.350000000000001 110.28 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.591 HG23 ' HE2' ' A' ' 50' ' ' PHE . 7.3 p -57.07 -45.16 84.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.162 -0.472 . . . . 73.219999999999999 110.988 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.17 -36.74 77.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.064 -0.516 . . . . 55.109999999999999 112.012 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.686 ' HB2' ' HD2' ' A' ' 66' ' ' LYS . 14.4 t-20 -69.71 -45.54 67.99 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.104 0.478 . . . . 63.039999999999999 109.927 -178.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -57.0 -47.38 80.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.181 -0.918 . . . . 35.32 110.605 177.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.458 ' HG2' ' HE2' ' A' ' 75' ' ' LYS . 24.5 ttpt -62.41 -40.2 95.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 113.907 -1.497 . . . . 75.519999999999996 110.247 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -58.11 -49.19 77.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.612 -0.722 . . . . 71.019999999999996 110.78 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.489 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 57.0 mt -58.03 -53.97 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.522 -0.763 . . . . 74.329999999999998 111.517 -177.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.516 ' SD ' ' HB3' ' A' ' 50' ' ' PHE . 2.5 ptt? -61.36 -39.27 89.99 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.875 -0.33 . . . . 73.439999999999998 110.698 -178.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.602 ' HA ' HG21 ' A' ' 5' ' ' ILE . 47.7 mttm -57.05 -47.63 80.47 Favored 'General case' 0 N--CA 1.458 -0.058 0 CA-C-O 120.526 0.203 . . . . 75.450000000000003 110.773 177.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.416 ' HA ' ' HB3' ' A' ' 79' ' ' LEU . 85.4 mm-40 -67.47 -15.48 63.69 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.451 -0.34 . . . . 75.109999999999999 111.803 -178.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 36.0 mmt180 -67.61 -63.72 1.0 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.848 -0.427 . . . . 72.340000000000003 109.848 176.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.794 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -69.22 -31.53 70.17 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.529 -0.469 . . . . 74.109999999999999 110.331 -179.368 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.416 ' HB3' ' HA ' ' A' ' 76' ' ' GLN . 3.1 tm? -51.76 -50.48 60.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.135 0.493 . . . . 72.519999999999996 110.021 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.45 -29.82 68.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.978 -0.555 . . . . 75.25 111.215 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.562 ' HG ' ' HB2' ' A' ' 86' ' ' SER . 5.3 mp -69.42 -33.28 72.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.331 -0.395 . . . . 42.5 111.928 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.602 HD21 HD11 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -87.31 -20.89 26.16 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.764 -0.374 . . . . 72.420000000000002 111.216 178.209 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -74.76 -47.88 28.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.252 0.549 . . . . 63.140000000000001 110.16 174.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -88.5 -14.76 37.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.395 -0.821 . . . . 64.439999999999998 110.546 -177.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 66.77 37.3 4.23 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.51 -0.768 . . . . 71.409999999999997 110.887 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.562 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 3.0 m -67.49 135.93 53.82 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.214 -0.903 . . . . 72.319999999999993 110.222 178.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -69.25 -5.71 24.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.652 -0.249 . . . . 50.439999999999998 111.61 -176.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.441 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -59.92 -44.11 94.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.555 -0.293 . . . . 75.049999999999997 111.244 -177.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.794 HD22 ' HB3' ' A' ' 78' ' ' LEU . 19.4 tp -94.74 -28.54 15.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.506 0.669 . . . . 71.230000000000004 110.656 175.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.4 mt -104.57 22.76 14.43 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.274 -0.876 . . . . 72.120000000000005 113.136 -165.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -68.78 157.81 35.64 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 120.332 -0.547 . . . . 70.019999999999996 110.844 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.7 m -89.3 134.37 34.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.735 -0.666 . . . . 73.230000000000004 111.12 -176.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.8 p -128.3 -178.84 4.71 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.434 -0.803 . . . . 53.130000000000003 109.365 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -125.94 72.54 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.021 0.439 . . . . 73.540000000000006 110.681 176.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 17.3 m -80.55 -50.86 9.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.038 0.447 . . . . 63.109999999999999 110.242 173.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.582 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 18.5 ptmt -118.55 -36.71 3.44 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.861 -0.609 . . . . 72.239999999999995 109.781 177.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.468 ' CD2' ' HG3' ' A' ' 96' ' ' LYS . 21.6 p90 -159.66 -173.38 4.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.318 -0.855 . . . . 72.239999999999995 108.78 176.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.1 m -140.18 -163.98 1.62 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.0 0.428 . . . . 62.039999999999999 111.054 169.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.551 ' HE2' ' HA ' ' A' ' 16' ' ' GLN . 28.9 mmtp -101.97 145.26 29.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.038 -0.528 . . . . 64.450000000000003 112.358 -168.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.507 ' HG2' ' HG2' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -127.48 -13.56 5.42 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.16 -1.052 . . . . 73.239999999999995 108.16 162.684 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.507 ' HG2' ' HG2' ' A' ' 100' ' ' LYS . 73.7 mmtt . . . . . 0 C--O 1.247 0.933 0 CA-C-N 114.626 -1.17 . . . . 60.140000000000001 109.281 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 ptp . . . . . 0 N--CA 1.478 0.95 0 CA-C-O 120.756 0.313 . . . . 73.299999999999997 110.197 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -121.91 142.6 50.1 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.826 -0.435 . . . . 74.409999999999997 109.826 177.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 165.08 -156.74 28.89 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 110.849 -0.9 . . . . 72.0 110.849 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -126.56 136.81 53.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.407 0.622 . . . . 73.400000000000006 111.295 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.601 HG13 ' O ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -66.21 -28.98 45.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.001 -1.0 . . . . 72.329999999999998 112.144 -175.359 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.473 ' HA ' HG12 ' A' ' 9' ' ' VAL . 38.6 mt-10 -72.72 -28.19 62.51 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 120.292 -0.563 . . . . 73.239999999999995 109.82 -174.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.727 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 32.8 m170 -64.49 -47.17 79.93 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.078 -0.712 . . . . 73.400000000000006 109.078 170.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -57.41 -50.52 72.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.597 -0.729 . . . . 54.450000000000003 111.432 -177.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.522 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 14.7 p -63.26 -32.73 57.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.004 -0.544 . . . . 74.400000000000006 111.421 -176.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.463 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 17.2 m-30 -70.49 -37.58 74.22 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 108.923 -0.769 . . . . 61.229999999999997 108.923 175.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.727 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 26.4 mm-40 -57.82 -45.93 85.44 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.619 -0.719 . . . . 64.010000000000005 111.81 -172.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.551 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -92.6 -44.48 8.58 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.314 -0.403 . . . . 74.439999999999998 111.979 -174.312 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.551 ' H ' HD12 ' A' ' 12' ' ' LEU . 21.0 mt -60.9 -43.96 97.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.22 0.452 . . . . 75.540000000000006 112.22 -175.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 59.9 pttt -63.65 -27.58 69.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.1 0.476 . . . . 60.109999999999999 110.325 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -75.94 -33.1 59.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.854 -0.612 . . . . 73.010000000000005 110.478 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 5.1 mt-30 -79.38 -0.29 32.17 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.455 -0.793 . . . . 73.140000000000001 111.183 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.547 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 90.52 36.68 6.83 Favored Glycine 0 N--CA 1.439 -1.131 0 C-N-CA 120.387 -0.911 . . . . 73.349999999999994 111.608 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.618 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 2.8 t -123.67 128.81 50.19 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 120.488 -0.485 . . . . 53.409999999999997 110.192 174.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.498 ' OE1' ' HB3' ' A' ' 95' ' ' CYS . 1.9 pm0 -121.95 3.88 9.94 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.324 0.583 . . . . 73.420000000000002 109.993 173.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.64 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 29.1 t0 -103.96 85.63 2.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.384 -0.825 . . . . 74.530000000000001 110.683 -174.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -167.41 167.35 13.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.151 -0.932 . . . . 74.510000000000005 110.441 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.5 176.0 39.06 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.155 -0.545 . . . . 74.230000000000004 112.067 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 p -114.15 139.93 48.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.967 0.383 . . . . 63.140000000000001 111.305 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' CD ' ' HE1' ' A' ' 53' ' ' PHE . 47.5 pttt -117.42 156.36 28.07 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.898 -0.408 . . . . 71.140000000000001 109.898 173.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.4 p -140.42 72.16 1.39 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.508 0.67 . . . . 55.329999999999998 109.927 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 p -94.22 135.63 28.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.816 -0.629 . . . . 71.299999999999997 109.633 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.9 mt -75.84 127.4 37.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.229 0.537 . . . . 52.399999999999999 111.759 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -111.95 100.77 9.16 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.241 -0.89 . . . . 72.239999999999995 109.596 172.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.535 ' HA ' ' HB2' ' A' ' 46' ' ' LYS . 11.3 pt-20 -65.41 132.16 48.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.527 -0.76 . . . . 44.25 109.495 176.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -87.4 85.7 2.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.573 0.702 . . . . 73.549999999999997 110.224 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -81.99 101.64 10.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.163 -0.926 . . . . 75.450000000000003 109.592 175.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.9 t -123.19 -24.93 4.58 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.281 -0.872 . . . . 75.25 110.08 -176.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.0 t -139.24 -175.85 4.31 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.908 -0.587 . . . . 55.119999999999997 109.505 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -70.09 107.7 3.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.853 0.359 . . . . 75.140000000000001 110.368 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.748 ' HD3' HD22 ' A' ' 44' ' ' LEU . 53.2 pttt -94.7 174.23 7.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.117 -0.492 . . . . 71.340000000000003 110.218 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.498 HG21 ' HB3' ' A' ' 42' ' ' LEU . 8.7 t -70.04 137.32 51.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.093 0.473 . . . . 72.120000000000005 110.767 175.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.2 tp -108.3 112.22 24.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.904 -0.589 . . . . 52.509999999999998 110.217 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.683 HD21 ' H ' ' A' ' 42' ' ' LEU . 1.9 pt? -155.22 -172.02 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.389 -0.369 . . . . 72.319999999999993 110.935 178.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -40.37 -65.5 0.4 Allowed 'General case' 0 N--CA 1.468 0.438 0 O-C-N 124.169 0.918 . . . . 73.540000000000006 112.184 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.57 -158.4 0.72 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.366 -0.834 . . . . 72.439999999999998 108.939 178.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -95.31 99.28 11.24 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.965 -0.694 . . . . 62.100000000000001 110.484 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.683 ' H ' HD21 ' A' ' 38' ' ' LEU . 68.7 tp -47.83 -60.89 2.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.723 -1.126 . . . . 73.25 110.475 177.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -171.33 100.13 0.2 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.666 -0.697 . . . . 72.099999999999994 110.145 176.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.748 HD22 ' HD3' ' A' ' 35' ' ' LYS . 58.6 tp -119.21 150.58 39.83 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.52 -0.919 . . . . 70.340000000000003 108.52 170.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.1 m -60.22 102.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.347 -0.612 . . . . 55.409999999999997 109.347 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.535 ' HB2' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -122.21 151.27 41.2 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.908 -0.587 . . . . 73.150000000000006 110.431 -174.173 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.487 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 4.4 m-85 -121.61 148.1 44.99 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.119 -0.491 . . . . 54.439999999999998 110.57 -174.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.494 ' CE2' ' HB ' ' A' ' 67' ' ' VAL . 14.6 m-30 -83.97 113.38 20.95 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.952 -0.758 . . . . 74.540000000000006 108.952 173.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.85 76.83 1.97 Allowed Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.793 -0.718 . . . . 53.530000000000001 111.68 177.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.531 ' CE2' HG23 ' A' ' 67' ' ' VAL . 5.8 m-85 -76.73 111.66 12.48 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.841 -0.429 . . . . 64.329999999999998 109.841 177.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.52 ' HB3' HD12 ' A' ' 58' ' ' ILE . 0.9 OUTLIER -131.34 141.31 49.89 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.267 -0.424 . . . . 73.109999999999999 110.978 -175.85 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.583 ' CG ' HD21 ' A' ' 78' ' ' LEU . 39.4 t80 -101.1 121.63 42.14 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 109.718 -0.475 . . . . 72.420000000000002 109.718 173.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.465 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 21.5 m-85 -99.55 135.54 40.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.236 -0.893 . . . . 75.299999999999997 112.026 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -134.24 117.52 16.56 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.353 -0.98 . . . . 74.049999999999997 108.353 165.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.64 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 16.1 m-70 64.1 22.26 12.84 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.844 0.354 . . . . 72.120000000000005 111.911 -177.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.64 2.25 88.85 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.441 -0.885 . . . . 34.539999999999999 112.128 -177.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.465 ' O ' ' HA ' ' A' ' 53' ' ' PHE . 26.7 m-80 -95.79 169.49 9.97 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 109.809 -0.441 . . . . 75.120000000000005 109.809 176.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.52 HD12 ' HB3' ' A' ' 51' ' ' SER . 25.9 mm -107.51 110.65 32.62 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-N 115.653 -0.703 . . . . 75.109999999999999 110.526 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.659 HG11 HD13 ' A' ' 89' ' ' LEU . 87.8 t -90.99 -35.17 6.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 CA-C-N 115.13 -0.941 . . . . 74.310000000000002 109.556 176.172 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -138.83 140.21 38.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.696 -0.684 . . . . 72.010000000000005 110.971 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.401 ' HE1' ' HB2' ' A' ' 63' ' ' LYS . 2.3 t80 -143.51 125.58 15.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.869 0.366 . . . . 73.319999999999993 110.053 173.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.22 104.55 0.67 Allowed Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.688 -0.687 . . . . 72.310000000000002 111.558 176.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.487 ' HG3' ' HB3' ' A' ' 47' ' ' TYR . 3.0 tppp? -96.16 118.4 32.66 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.651 0.262 . . . . 71.230000000000004 110.669 -178.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.519 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 56.5 m -156.59 152.47 27.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.548 -0.296 . . . . 72.319999999999993 110.771 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 37.7 ttp180 -71.41 -28.64 64.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.731 -0.841 . . . . 62.119999999999997 108.731 176.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.551 ' HD2' ' HB2' ' A' ' 69' ' ' ASN . 22.7 ttmm -89.34 123.73 33.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.783 -1.099 . . . . 73.219999999999999 109.86 178.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.531 HG23 ' CE2' ' A' ' 50' ' ' PHE . 6.1 p -56.6 -44.35 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 123.38 0.425 . . . . 55.119999999999997 110.928 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.18 -37.61 88.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 74.209999999999994 111.55 -178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.551 ' HB2' ' HD2' ' A' ' 66' ' ' LYS . 5.6 t30 -73.58 -43.68 59.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.755 -0.461 . . . . 74.430000000000007 109.755 -178.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.519 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -61.29 -49.43 77.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.523 -0.762 . . . . 44.130000000000003 111.096 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.503 ' HE2' HG22 ' A' ' 67' ' ' VAL . 54.3 mtmt -55.77 -44.91 78.12 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 115.93 -0.577 . . . . 41.340000000000003 110.275 176.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.419 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 33.3 t80 -56.01 -49.89 72.4 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.139 -0.937 . . . . 72.230000000000004 111.202 -175.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.4 mt -57.82 -55.25 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.663 -0.699 . . . . 73.219999999999999 111.751 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.493 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.7 ptt? -62.66 -38.98 92.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.531 -0.304 . . . . 74.010000000000005 110.69 -178.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.601 ' O ' HG13 ' A' ' 5' ' ' ILE . 62.6 mttm -62.67 -42.58 99.7 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.67 -0.241 . . . . 74.109999999999999 111.193 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 30.4 mm-40 -62.12 -25.88 67.98 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.606 0.241 . . . . 64.140000000000001 111.243 177.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.557 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 16.0 mmm180 -62.22 -66.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 73.409999999999997 110.701 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.855 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -66.02 -30.51 71.06 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.225 -0.59 . . . . 62.109999999999999 110.836 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -53.4 -46.12 69.58 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.259 0.552 . . . . 72.209999999999994 109.825 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.82 -26.49 59.75 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.809 -0.632 . . . . 62.439999999999998 111.128 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 92.3 mt -73.22 -34.24 65.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.574 -0.285 . . . . 75.109999999999999 111.295 -178.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.59 HD21 HD11 ' A' ' 5' ' ' ILE . 1.4 pp -83.5 -21.18 32.87 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.805 -0.358 . . . . 73.010000000000005 111.013 177.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -83.44 -37.28 23.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 71.319999999999993 110.995 176.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -91.08 -11.35 38.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.177 0.513 . . . . 74.099999999999994 110.125 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 64.19 35.61 10.06 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.216 -0.902 . . . . 75.129999999999995 111.255 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.6 m -72.29 135.99 46.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.527 -0.761 . . . . 70.530000000000001 110.493 178.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -69.57 -1.71 9.51 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.205 0.446 . . . . 74.439999999999998 112.205 -175.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.24 -38.79 92.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.598 0.237 . . . . 72.310000000000002 111.201 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.855 HD22 ' HB3' ' A' ' 78' ' ' LEU . 18.9 tp -103.98 -15.78 15.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.263 0.554 . . . . 73.239999999999995 110.492 177.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.8 mt -115.78 21.02 14.21 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.759 -0.655 . . . . 72.0 112.764 -168.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -67.37 163.97 19.6 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.26 0.552 . . . . 53.25 112.098 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.6 m -81.23 140.36 34.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.411 -0.813 . . . . 43.020000000000003 111.325 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.1 p -149.52 165.91 30.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.924 -0.58 . . . . 74.409999999999997 109.457 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -115.17 83.54 1.93 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.172 0.511 . . . . 72.120000000000005 110.263 174.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.547 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 10.2 m -86.53 -10.34 54.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.088 -0.505 . . . . 62.109999999999999 110.252 169.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.52 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 17.6 ptmt -171.29 -37.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.304 -0.862 . . . . 64.530000000000001 109.286 -174.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.422 ' CD2' ' HG3' ' A' ' 96' ' ' LYS . 31.7 p90 -165.24 -172.99 2.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.044 -0.98 . . . . 73.439999999999998 108.368 175.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.6 m -148.26 178.18 8.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.908 0.385 . . . . 72.239999999999995 110.539 169.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.426 ' H ' ' HG2' ' A' ' 99' ' ' LYS . 52.2 mmtt -56.74 -67.96 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.977 -1.011 . . . . 65.230000000000004 110.912 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.419 ' HD2' ' H ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER 175.04 -28.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.127 -1.397 . . . . 75.5 107.349 -176.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.419 ' H ' ' HD2' ' A' ' 100' ' ' LYS . 2.2 mptm? . . . . . 0 C--O 1.251 1.162 0 CA-C-N 114.466 -1.243 . . . . 75.230000000000004 109.932 175.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 mmt . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 109.764 -0.458 . . . . 71.400000000000006 109.764 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.68 127.97 33.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.178 0.513 . . . . 54.420000000000002 109.688 175.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.75 -86.51 0.74 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.336 -0.935 . . . . 74.140000000000001 112.515 -175.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -120.89 135.68 55.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.816 0.817 . . . . 61.229999999999997 110.761 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.51 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -69.85 -24.56 26.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 114.907 -1.042 . . . . 74.409999999999997 110.727 -174.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -68.27 -42.27 79.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.066 -0.515 . . . . 75.329999999999998 110.093 -177.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.627 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 17.1 t-80 -57.78 -40.92 80.97 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.452 -0.574 . . . . 73.140000000000001 109.452 175.396 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.42 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 67.4 mmtt -59.68 -52.34 65.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 62.140000000000001 110.741 178.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.785 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 46.6 t -55.7 -43.85 74.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.145 -0.48 . . . . 72.400000000000006 110.561 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.42 ' CD1' ' HE1' ' A' ' 21' ' ' PHE . 13.4 m-30 -63.11 -48.47 78.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.062 -0.517 . . . . 73.140000000000001 109.634 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.627 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 20.4 mm-40 -50.66 -47.35 58.73 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 113.032 0.753 . . . . 54.530000000000001 113.032 -173.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.522 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -89.29 -45.72 9.3 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.713 -0.395 . . . . 72.430000000000007 111.711 -175.764 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.522 ' H ' HD12 ' A' ' 12' ' ' LEU . 20.1 mt -61.78 -44.67 96.41 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.274 0.472 . . . . 60.229999999999997 112.274 -175.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -63.31 -28.71 70.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.142 0.496 . . . . 73.310000000000002 110.096 178.896 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -75.84 -33.87 60.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.816 -0.629 . . . . 62.329999999999998 110.361 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 6.8 mt-30 -75.98 -3.1 33.74 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.479 -0.782 . . . . 73.439999999999998 109.934 176.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.723 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 87.13 45.83 5.23 Favored Glycine 0 N--CA 1.43 -1.731 0 C-N-CA 120.598 -0.81 . . . . 60.009999999999998 111.338 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 4.6 t -123.71 135.4 53.84 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 119.832 -0.747 . . . . 72.510000000000005 111.241 172.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.463 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -123.76 -4.04 8.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.352 0.596 . . . . 65.299999999999997 109.689 170.101 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -93.71 82.3 4.32 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.393 -0.821 . . . . 54.439999999999998 110.899 -175.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.421 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 20.4 p90 -169.48 162.13 10.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.989 -1.005 . . . . 73.340000000000003 110.32 176.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.64 167.63 33.6 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.99 -0.624 . . . . 55.420000000000002 112.135 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.1 p -95.26 150.17 20.53 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.592 0.234 . . . . 61.549999999999997 111.358 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.41 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -133.26 144.36 49.68 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.628 -0.508 . . . . 72.010000000000005 109.628 171.247 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.4 p -133.13 95.33 3.52 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.215 0.531 . . . . 72.099999999999994 110.012 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.3 p -111.72 142.32 24.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.812 -0.631 . . . . 73.230000000000004 109.579 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 64.6 mt -80.16 126.01 39.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 120.134 -0.626 . . . . 63.32 110.608 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -111.49 88.82 2.89 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 108.494 -0.928 . . . . 64.319999999999993 108.494 174.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.492 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 1.2 pm0 -70.83 149.79 46.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.894 -1.048 . . . . 72.540000000000006 111.592 -173.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.2 t -111.6 110.62 32.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.544 -0.753 . . . . 43.109999999999999 109.895 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -57.85 146.53 31.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.254 -0.885 . . . . 62.229999999999997 111.742 -177.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.2 p -80.0 156.91 26.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.906 -0.588 . . . . 65.329999999999998 110.392 177.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 m -66.94 -35.25 79.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.028 0.442 . . . . 52.020000000000003 110.811 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -102.27 165.87 10.89 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.776 -0.453 . . . . 72.530000000000001 109.776 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.727 ' HD3' ' H ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -87.45 167.21 14.2 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.993 -0.373 . . . . 75.109999999999999 109.993 177.223 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.811 HG21 ' HA ' ' A' ' 41' ' ' GLU . 3.2 p -95.27 152.23 18.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.899 0.381 . . . . 74.109999999999999 111.462 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -107.17 3.26 25.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 74.439999999999998 110.901 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.598 HD23 ' HB ' ' A' ' 36' ' ' THR . 1.6 pt? -104.9 -170.72 1.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.043 -0.354 . . . . 64.239999999999995 110.043 -179.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.573 ' OD1' HG23 ' A' ' 40' ' ' THR . 25.9 t-20 -54.28 -70.41 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 74.010000000000005 112.018 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.573 HG23 ' OD1' ' A' ' 39' ' ' ASN . 14.1 p -95.35 -110.35 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.169 0.509 . . . . 64.409999999999997 111.113 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.811 ' HA ' HG21 ' A' ' 36' ' ' THR . 0.0 OUTLIER -137.03 12.12 3.09 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.782 -0.645 . . . . 62.43 110.553 178.826 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 33.1 tp 65.24 15.71 10.15 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.495 -0.775 . . . . 52.409999999999997 111.058 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.411 ' HA ' ' OE2' ' A' ' 41' ' ' GLU . 75.2 t60 63.23 85.4 0.13 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.705 -0.679 . . . . 72.420000000000002 109.754 -173.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 pp -79.67 -174.13 4.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.216 -0.902 . . . . 62.299999999999997 111.631 -175.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.4 m -62.1 106.33 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.439 0.638 . . . . 75.109999999999999 110.778 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -115.85 157.53 24.31 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.282 -0.872 . . . . 54.509999999999998 109.761 -178.404 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -125.04 132.02 53.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.013 0.435 . . . . 62.030000000000001 110.293 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.627 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 3.4 m-30 -78.27 103.3 8.12 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.693 -0.685 . . . . 73.340000000000003 109.8 175.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.71 76.64 1.98 Allowed Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.887 -0.597 . . . . 55.43 111.962 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.528 ' HB3' ' SD ' ' A' ' 74' ' ' MET . 6.4 m-85 -73.75 119.03 17.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.942 0.401 . . . . 52.539999999999999 110.004 177.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.533 ' HB3' HD12 ' A' ' 58' ' ' ILE . 1.3 m -135.29 143.99 46.54 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.99 -0.55 . . . . 75.510000000000005 110.505 -176.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.785 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 22.6 t80 -106.41 123.64 48.37 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.799 -0.445 . . . . 62.439999999999998 109.799 173.263 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.41 ' CE1' ' HG2' ' A' ' 24' ' ' LYS . 7.3 m-85 -99.92 134.69 42.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.469 -0.787 . . . . 62.009999999999998 111.624 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.421 ' HG3' ' HB3' ' A' ' 21' ' ' PHE . 60.1 ttt180 -134.95 119.19 17.71 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.777 -0.823 . . . . 75.420000000000002 108.777 167.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 59.53 19.42 7.9 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.589 0.588 . . . . 74.120000000000005 112.589 -179.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.12 -4.3 62.57 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.458 -0.877 . . . . 73.349999999999994 112.884 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -98.11 171.66 8.1 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.048 0.452 . . . . 75.010000000000005 110.149 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.533 HD12 ' HB3' ' A' ' 51' ' ' SER . 23.8 mm -104.87 109.73 28.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.324 -0.853 . . . . 64.540000000000006 110.012 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.618 HG11 HD13 ' A' ' 89' ' ' LEU . 88.7 t -88.14 -36.12 8.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 115.058 -0.973 . . . . 73.049999999999997 109.622 177.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.448 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -136.75 138.22 40.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.566 -0.743 . . . . 71.230000000000004 110.695 178.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.486 ' HD1' ' HG ' ' A' ' 51' ' ' SER . 76.1 t80 -141.88 133.52 26.94 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.9 0.381 . . . . 73.319999999999993 110.087 173.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.478 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -156.77 104.63 0.26 Allowed Glycine 0 N--CA 1.438 -1.19 0 N-CA-C 111.119 -0.793 . . . . 54.020000000000003 111.119 175.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.627 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 20.0 pttm -101.15 151.91 21.27 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.363 -0.535 . . . . 73.5 109.564 176.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.8 t -165.73 162.42 18.65 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.697 -0.683 . . . . 54.329999999999998 109.67 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -68.11 -23.18 64.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.862 0.363 . . . . 74.349999999999994 110.348 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -108.44 139.26 43.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.97 -0.559 . . . . 71.120000000000005 110.843 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.508 HG23 ' CE2' ' A' ' 50' ' ' PHE . 3.0 p -60.5 -43.53 94.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.814 -0.63 . . . . 54.130000000000003 111.123 177.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.491 ' HA ' ' CE ' ' A' ' 71' ' ' LYS . . . -62.57 -43.6 98.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.602 -0.272 . . . . 72.439999999999998 111.729 -177.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -68.85 -46.2 69.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.312 -0.404 . . . . 72.209999999999994 110.376 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.1 -46.76 82.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.888 -0.596 . . . . 73.0 111.062 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.491 ' CE ' ' HA ' ' A' ' 68' ' ' ALA . 55.5 mtmt -55.42 -47.33 76.12 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.288 0.566 . . . . 70.099999999999994 110.223 174.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -55.22 -48.52 73.78 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.831 -1.077 . . . . 63.450000000000003 111.106 -174.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.493 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 37.6 mt -58.75 -54.71 29.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.758 -0.655 . . . . 74.340000000000003 111.626 -177.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.528 ' SD ' ' HB3' ' A' ' 50' ' ' PHE . 2.5 ptt? -64.44 -39.15 93.27 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.905 -0.318 . . . . 75.540000000000006 110.66 -176.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.51 ' HA ' HG21 ' A' ' 5' ' ' ILE . 60.2 mttm -61.18 -45.22 95.5 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.199 -0.2 . . . . 73.439999999999998 110.982 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -64.14 -20.27 65.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.57 -0.286 . . . . 73.150000000000006 111.271 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.494 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 37.6 mmt180 -66.56 -66.72 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.669 -0.241 . . . . 75.540000000000006 110.388 177.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.679 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -61.29 -33.67 73.94 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.546 -0.461 . . . . 73.219999999999999 110.221 178.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -52.64 -49.93 64.18 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.194 -0.457 . . . . 72.019999999999996 109.95 177.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -67.83 -28.56 67.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.356 -0.384 . . . . 55.409999999999997 110.937 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 93.1 mt -71.87 -38.08 70.09 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.634 -0.257 . . . . 60.310000000000002 111.048 -178.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.479 HD21 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -80.64 -24.29 39.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.701 0.286 . . . . 74.099999999999994 110.839 176.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.96 -41.34 59.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.277 0.56 . . . . 54.340000000000003 111.036 175.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -88.79 -22.35 23.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.624 -0.716 . . . . 60.240000000000002 109.969 -175.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 66.64 56.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.364 -0.835 . . . . 72.340000000000003 109.902 -174.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.2 m -98.99 145.0 27.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.903 -1.044 . . . . 75.099999999999994 110.5 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -66.55 -11.43 52.95 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.718 0.636 . . . . 74.430000000000007 112.718 -173.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.505 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.8 mm? -56.57 -38.62 72.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.654 0.242 . . . . 74.219999999999999 111.654 -175.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.679 HD22 ' HB3' ' A' ' 78' ' ' LEU . 18.6 tp -109.74 -24.88 10.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.103 0.478 . . . . 74.049999999999997 111.069 177.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 mt -108.36 19.74 19.47 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 112.872 0.693 . . . . 65.530000000000001 112.872 -168.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -67.68 159.9 29.12 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.05 0.452 . . . . 75.209999999999994 111.183 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.7 m -77.98 134.22 37.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.58 -0.736 . . . . 62.329999999999998 110.358 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.431 ' O ' ' HB3' ' A' ' 98' ' ' SER . 8.2 p -137.58 171.23 14.76 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.204 -0.453 . . . . 64.510000000000005 109.936 178.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -111.76 75.05 0.9 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.883 -0.327 . . . . 73.409999999999997 111.264 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.723 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 74.3 m -94.68 -9.24 35.47 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 120.068 -0.653 . . . . 75.310000000000002 109.817 165.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.497 ' HD3' ' HA3' ' A' ' 17' ' ' GLY . 20.7 ptmt -147.75 -54.03 0.21 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.689 -0.687 . . . . 65.349999999999994 110.069 173.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.463 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 26.9 p90 -151.56 170.81 18.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.008 -0.738 . . . . 72.329999999999998 109.008 176.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.431 ' HB3' ' O ' ' A' ' 93' ' ' CYS . 28.2 p 179.07 -174.12 0.19 Allowed 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.295 0.569 . . . . 64.239999999999995 111.15 177.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -98.22 117.89 33.61 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.091 -0.959 . . . . 74.230000000000004 109.465 -177.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.91 120.58 35.36 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.865 -0.607 . . . . 70.420000000000002 111.244 -171.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 3.9 mptp? . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.446 -0.788 . . . . 64.510000000000005 109.93 174.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 mmt . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 110.139 -0.319 . . . . 73.340000000000003 110.139 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.457 ' N ' ' HD2' ' A' ' 2' ' ' LYS . 3.5 mptp? -73.41 99.29 2.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.967 0.413 . . . . 50.439999999999998 110.497 -176.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -118.3 138.15 13.58 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.877 -0.678 . . . . 64.010000000000005 112.361 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.446 ' CG ' ' HD1' ' A' ' 7' ' ' HIS . 2.5 p30 -92.5 155.13 18.03 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.64 0.733 . . . . 64.310000000000002 111.431 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.517 HD11 HD21 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -70.54 -26.2 28.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.805 -1.089 . . . . 75.230000000000004 110.72 -175.173 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -67.82 -42.38 81.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.123 -0.49 . . . . 72.040000000000006 109.759 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.674 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 2.5 m80 -53.92 -48.29 70.32 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.82 -0.627 . . . . 74.140000000000001 110.298 173.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -53.67 -53.59 49.78 Favored 'General case' 0 N--CA 1.463 0.21 0 O-C-N 123.687 0.617 . . . . 74.549999999999997 111.289 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.772 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 50.4 t -54.44 -43.05 61.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 71.099999999999994 110.914 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -70.48 -38.35 74.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 109.894 -177.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.674 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 20.0 mm-40 -55.08 -48.34 73.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.018 -0.537 . . . . 55.409999999999997 111.783 -174.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.572 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -92.56 -46.2 7.74 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.274 0.472 . . . . 74.310000000000002 112.274 -173.402 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.572 ' H ' HD12 ' A' ' 12' ' ' LEU . 22.7 mt -62.78 -44.0 97.34 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.562 0.579 . . . . 74.409999999999997 112.562 -174.197 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.667 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 13.4 pttm -66.49 -23.09 66.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.938 0.399 . . . . 75.530000000000001 110.118 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -82.84 -35.92 25.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.754 -0.657 . . . . 61.32 110.615 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -66.77 -38.62 86.92 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.362 0.601 . . . . 74.109999999999999 109.935 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.563 ' HA2' ' HD3' ' A' ' 96' ' ' LYS . . . 133.46 39.17 0.21 Allowed Glycine 0 N--CA 1.441 -1.003 0 CA-C-N 115.169 -0.923 . . . . 62.219999999999999 112.255 -177.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.667 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 2.9 t -127.78 134.69 49.5 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.385 -0.526 . . . . 73.329999999999998 110.908 173.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.45 1.92 9.6 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.479 0.657 . . . . 73.019999999999996 109.433 170.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.437 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 21.8 t0 -103.18 83.08 2.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.317 -0.856 . . . . 73.140000000000001 110.961 -171.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.459 ' HE2' ' HB3' ' A' ' 18' ' ' CYS . 11.2 p90 -169.09 161.82 10.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.42 -0.809 . . . . 72.099999999999994 110.393 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.8 171.74 37.12 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.75 -0.54 . . . . 74.420000000000002 111.75 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.2 p -95.24 150.98 19.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.062 0.458 . . . . 61.340000000000003 111.522 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.594 ' HE3' ' OG ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -132.38 133.22 43.68 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.198 -0.667 . . . . 72.400000000000006 109.198 171.492 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 p -131.25 80.23 1.93 Allowed 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.685 0.755 . . . . 43.210000000000001 109.889 176.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.7 p -107.15 140.07 26.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 114.977 -1.011 . . . . 75.310000000000002 109.393 -177.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.5 mt -68.25 128.17 31.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.576 0.703 . . . . 55.149999999999999 111.582 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -116.8 101.45 8.56 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.819 -1.082 . . . . 42.200000000000003 108.518 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.765 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -87.26 126.54 34.89 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.254 0.55 . . . . 73.299999999999997 110.555 -175.587 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.0 t -86.05 89.91 2.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.838 -0.619 . . . . 64.239999999999995 109.722 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.723 ' HA ' HD11 ' A' ' 44' ' ' LEU . 21.1 pttp -70.47 130.83 42.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.592 -0.731 . . . . 72.430000000000007 110.595 -177.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.4 t -89.35 167.65 12.87 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.382 -0.827 . . . . 65.219999999999999 109.995 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 p -62.8 -33.2 74.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.238 0.542 . . . . 75.420000000000002 109.755 174.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -95.14 111.78 23.57 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.922 -0.77 . . . . 74.420000000000002 108.922 171.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -63.66 -75.16 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.87 -0.605 . . . . 70.209999999999994 111.46 -177.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.412 ' HB ' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -166.71 150.22 6.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.052 -0.522 . . . . 70.540000000000006 109.866 -178.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -116.46 67.92 0.73 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.829 -0.434 . . . . 61.210000000000001 109.829 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.805 HD11 ' HB2' ' A' ' 42' ' ' LEU . 2.6 pt? -168.73 -162.09 0.37 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.768 -0.651 . . . . 74.430000000000007 109.999 176.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.4 ' HB3' ' H ' ' A' ' 40' ' ' THR . 5.0 t30 -53.03 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.602 0.715 . . . . 73.409999999999997 111.452 -178.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.701 HG22 ' H ' ' A' ' 41' ' ' GLU . 4.0 m -119.87 -175.18 2.92 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 107.841 -1.17 . . . . 54.350000000000001 107.841 178.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.701 ' H ' HG22 ' A' ' 40' ' ' THR . 36.5 mt-10 -70.17 94.87 0.93 Allowed 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.446 -0.575 . . . . 73.540000000000006 109.446 174.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.805 ' HB2' HD11 ' A' ' 38' ' ' LEU . 3.1 tm? -44.01 -60.84 1.67 Allowed 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.889 0.743 . . . . 75.120000000000005 110.241 178.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -160.65 103.15 1.36 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.114 -0.948 . . . . 55.020000000000003 109.129 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.723 HD11 ' HA ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -75.53 131.63 40.19 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.052 -1.092 . . . . 72.239999999999995 108.052 177.005 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.419 ' N ' HD13 ' A' ' 44' ' ' LEU . 11.5 m -58.19 98.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 73.239999999999995 110.462 -178.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.765 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -110.34 157.2 19.77 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.042 -0.981 . . . . 54.439999999999998 109.965 -174.497 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -132.43 141.24 48.76 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.921 -0.582 . . . . 65.409999999999997 109.613 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -73.16 108.41 6.03 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.23 -0.441 . . . . 73.329999999999998 109.941 177.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.05 76.53 1.76 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.838 -0.696 . . . . 71.120000000000005 111.637 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.681 ' CE1' HG23 ' A' ' 67' ' ' VAL . 1.5 m-85 -78.67 124.76 28.52 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.016 0.436 . . . . 64.239999999999995 110.063 177.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.691 ' HG ' ' HD1' ' A' ' 61' ' ' TYR . 2.8 m -150.51 154.83 38.33 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.313 -0.403 . . . . 73.530000000000001 110.733 -178.062 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.772 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 27.1 t80 -112.44 123.94 51.4 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.273 -0.64 . . . . 74.409999999999997 109.273 172.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.526 ' CE2' ' HG2' ' A' ' 24' ' ' LYS . 3.4 m-85 -99.49 140.59 33.45 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.406 -0.815 . . . . 72.420000000000002 111.646 -177.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -143.57 117.22 9.22 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.409 -0.814 . . . . 75.239999999999995 108.828 168.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.437 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 16.5 m-70 62.92 21.2 12.72 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.081 0.4 . . . . 73.200000000000003 112.081 -178.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.46 7.6 84.44 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.231 -0.985 . . . . 63.25 112.41 -177.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -101.66 175.19 5.64 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 109.455 -0.572 . . . . 74.439999999999998 109.455 174.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.497 HD12 ' HB3' ' A' ' 51' ' ' SER . 23.2 mm -113.07 114.92 48.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.398 0.618 . . . . 72.299999999999997 110.422 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.663 HG11 HD13 ' A' ' 89' ' ' LEU . 96.3 t -93.33 -34.87 6.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 115.15 -0.932 . . . . 75.420000000000002 109.429 175.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.54 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -133.25 135.16 44.78 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.402 -0.817 . . . . 71.120000000000005 110.369 179.118 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.691 ' HD1' ' HG ' ' A' ' 51' ' ' SER . 65.3 t80 -142.0 128.08 19.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.836 0.35 . . . . 75.349999999999994 110.156 175.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.509 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -148.57 99.89 0.2 Allowed Glycine 0 N--CA 1.44 -1.079 0 N-CA-C 111.028 -0.829 . . . . 35.310000000000002 111.028 177.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -96.5 122.77 39.76 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.823 0.344 . . . . 72.310000000000002 110.403 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.438 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 57.4 m -152.08 158.2 42.67 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.351 -0.386 . . . . 71.310000000000002 110.544 178.05 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -69.39 -29.49 67.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.982 0.42 . . . . 70.299999999999997 110.434 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.469 ' NZ ' ' HB2' ' A' ' 66' ' ' LYS . 2.2 ttmp? -104.26 129.1 52.09 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.248 -0.433 . . . . 64.540000000000006 110.264 177.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.681 HG23 ' CE1' ' A' ' 50' ' ' PHE . 2.2 p -52.46 -47.39 47.57 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 115.659 -0.7 . . . . 72.219999999999999 111.869 -177.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.46 -40.56 75.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.406 0.521 . . . . 63.450000000000003 112.406 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 72' ' ' TYR . 7.0 t30 -73.41 -46.84 46.31 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.123 0.487 . . . . 74.140000000000001 110.036 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.438 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -56.99 -47.04 81.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.326 -0.852 . . . . 73.510000000000005 110.759 178.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.452 ' HG2' ' HE2' ' A' ' 75' ' ' LYS . 30.1 ttpt -64.53 -37.66 88.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.323 -1.308 . . . . 75.120000000000005 110.151 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.405 ' HB3' ' O ' ' A' ' 69' ' ' ASN . 36.2 t80 -58.8 -49.73 76.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.269 -0.878 . . . . 74.109999999999999 110.876 178.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.538 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 34.8 mt -59.31 -49.78 82.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.829 -0.623 . . . . 62.229999999999997 110.565 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 59.0 ttp -52.38 -53.75 40.77 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.579 -0.737 . . . . 75.329999999999998 110.998 177.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.457 ' HA ' HG21 ' A' ' 5' ' ' ILE . 50.9 mttm -59.55 -48.24 82.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.653 -0.703 . . . . 65.040000000000006 111.464 -177.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -59.61 -25.68 64.83 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.765 0.283 . . . . 71.519999999999996 111.765 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.547 ' NE ' ' HA ' ' A' ' 77' ' ' ARG . 3.2 mmp_? -63.26 -66.05 0.6 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.691 -0.231 . . . . 65.209999999999994 110.954 177.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.568 HD21 ' CG ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -68.39 -32.9 73.29 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 119.868 -0.733 . . . . 71.200000000000003 110.611 -178.164 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -50.86 -48.36 60.18 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.422 -0.585 . . . . 71.349999999999994 109.422 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -66.92 -34.27 77.4 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.806 -0.634 . . . . 72.519999999999996 111.226 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.58 ' HG ' ' HB2' ' A' ' 86' ' ' SER . 4.8 mp -68.54 -35.25 77.18 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.278 -0.419 . . . . 62.140000000000001 111.933 -177.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.517 HD21 HD11 ' A' ' 5' ' ' ILE . 0.9 OUTLIER -87.37 -21.38 25.69 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.846 -0.341 . . . . 61.530000000000001 111.516 179.324 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -80.71 -48.79 12.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.278 0.561 . . . . 73.239999999999995 110.547 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 85' ' ' LYS . 9.4 t70 -79.04 -21.08 47.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.663 -0.699 . . . . 74.349999999999994 110.275 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 84' ' ' ASP . 13.7 mmmm 72.46 38.71 0.79 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.141 -0.936 . . . . 72.0 110.911 -178.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.58 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 5.6 m -71.5 128.18 34.99 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.24 -0.891 . . . . 61.200000000000003 109.721 175.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -67.83 1.23 2.7 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.607 0.595 . . . . 74.530000000000001 112.607 -174.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.86 -39.51 87.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.738 0.304 . . . . 61.130000000000003 110.962 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.663 HD13 HG11 ' A' ' 59' ' ' VAL . 14.3 tp -94.69 -19.7 20.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.014 0.435 . . . . 72.439999999999998 110.759 175.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.3 mt -111.96 17.63 19.52 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 113.44 0.904 . . . . 64.109999999999999 113.44 -166.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -65.77 162.21 19.2 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.12 0.486 . . . . 75.5 111.718 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.5 m -87.92 145.71 25.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.65 -0.704 . . . . 72.230000000000004 111.354 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.1 p -150.94 162.24 41.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.515 -0.766 . . . . 74.409999999999997 109.062 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -105.15 73.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.55 0.214 . . . . 63.420000000000002 111.256 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 11.7 m -80.92 -45.42 16.76 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.283 -0.567 . . . . 73.140000000000001 110.088 170.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.563 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 21.8 ptmt -114.12 -37.64 4.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.917 -0.583 . . . . 75.109999999999999 109.598 175.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.428 ' CD2' ' HG3' ' A' ' 96' ' ' LYS . 23.1 p90 -169.37 -176.11 2.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.596 -0.89 . . . . 75.239999999999995 108.596 175.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.4 m -154.66 174.44 14.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.09 0.472 . . . . 61.229999999999997 110.42 170.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -104.81 125.09 50.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.092 -0.958 . . . . 74.239999999999995 108.972 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -84.43 107.0 16.45 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.964 -0.384 . . . . 74.540000000000006 109.964 -176.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 101' ' ' LYS . 5.0 mmmp? . . . . . 0 C--O 1.247 0.94 0 CA-C-N 114.62 -1.173 . . . . 54.43 111.659 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ttt . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 120.906 0.384 . . . . 74.230000000000004 110.471 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.94 154.56 19.76 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.305 -0.628 . . . . 62.439999999999998 109.305 175.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 129.61 57.82 0.1 Allowed Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 120.312 -0.947 . . . . 62.5 111.608 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -75.22 74.18 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.115 0.959 . . . . 75.420000000000002 109.976 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.583 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -61.46 -27.81 42.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 114.143 -1.389 . . . . 71.150000000000006 110.422 -178.897 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mp0 -64.75 -37.07 86.36 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.309 -0.859 . . . . 71.5 110.031 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.743 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 29.6 m170 -67.97 -42.69 80.46 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.506 -0.478 . . . . 74.340000000000003 109.978 175.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -58.79 -48.84 79.85 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 123.339 0.399 . . . . 64.340000000000003 110.617 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.441 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 10.4 p -65.57 -35.13 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.906 -0.588 . . . . 70.420000000000002 111.034 -177.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.447 ' CD1' ' HE1' ' A' ' 21' ' ' PHE . 15.3 m-30 -70.04 -33.42 71.94 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 109.771 -0.455 . . . . 74.420000000000002 109.771 177.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.743 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 27.0 mm-40 -56.3 -60.18 3.87 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.967 -0.56 . . . . 63.210000000000001 111.792 -175.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.463 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -82.44 -35.81 27.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.453 -0.794 . . . . 65.439999999999998 112.101 -172.475 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.463 ' H ' HD12 ' A' ' 12' ' ' LEU . 21.1 mt -63.26 -47.32 82.88 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.634 -0.426 . . . . 72.120000000000005 111.828 -179.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -65.25 -24.42 67.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.222 0.534 . . . . 52.240000000000002 109.926 178.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.423 ' HB3' ' O ' ' A' ' 12' ' ' LEU . 31.6 t70 -73.05 -46.5 51.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.507 -0.769 . . . . 71.200000000000003 110.718 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -65.22 -33.67 76.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.729 -0.669 . . . . 55.200000000000003 110.015 178.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.597 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 121.27 36.2 0.76 Allowed Glycine 0 N--CA 1.439 -1.12 0 CA-C-N 115.312 -0.858 . . . . 65.040000000000006 112.005 -179.113 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 13' ' ' LEU . 4.0 t -110.0 145.42 37.01 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.43 -0.508 . . . . 74.310000000000002 110.794 174.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -133.5 -5.69 2.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.562 0.696 . . . . 70.010000000000005 110.116 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.486 ' OD1' ' HA ' ' A' ' 55' ' ' HIS . 14.0 t70 -106.16 88.28 2.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.625 -0.716 . . . . 64.510000000000005 110.41 -172.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.447 ' HE1' ' CD1' ' A' ' 10' ' ' TYR . 10.0 p90 -168.06 147.26 4.66 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.126 -0.943 . . . . 72.319999999999993 110.406 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.39 -171.74 34.56 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.712 -0.555 . . . . 63.240000000000002 111.712 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.2 p -126.21 147.07 49.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.839 0.32 . . . . 74.420000000000002 111.066 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.541 ' HG2' ' HB3' ' A' ' 51' ' ' SER . 41.0 pttt -113.33 137.19 51.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.02 0.438 . . . . 51.530000000000001 109.932 173.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.5 p -121.33 75.85 1.2 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.643 0.735 . . . . 71.019999999999996 109.525 175.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.8 t -105.51 119.98 55.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.266 -0.879 . . . . 55.109999999999999 111.135 -172.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.6 mt -74.73 128.11 36.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 119.98 -0.688 . . . . 74.129999999999995 109.784 172.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -131.19 108.27 9.6 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.645 -0.707 . . . . 71.109999999999999 109.144 -178.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.731 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -78.79 159.72 27.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.856 -0.611 . . . . 72.150000000000006 111.151 -171.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.6 t -132.7 121.89 45.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.353 -0.61 . . . . 62.409999999999997 109.353 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -71.6 78.96 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.163 0.506 . . . . 72.129999999999995 110.904 -178.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.8 t -89.22 -35.0 16.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.695 -0.684 . . . . 74.349999999999994 110.352 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -97.02 141.67 29.9 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.709 -0.478 . . . . 61.119999999999997 109.709 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -108.01 11.45 27.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.205 -0.452 . . . . 73.430000000000007 110.836 -178.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -128.99 78.99 1.89 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.076 0.465 . . . . 72.239999999999995 111.156 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.403 HG21 HD23 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -110.63 82.6 1.62 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.355 0.598 . . . . 60.520000000000003 110.762 175.154 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.4 mt -99.34 1.25 44.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.391 -0.822 . . . . 74.030000000000001 111.016 -177.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 42' ' ' LEU . 1.3 pt? -74.88 130.68 39.83 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.684 -0.487 . . . . 73.340000000000003 109.684 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 31.85 -93.37 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 O-C-N 124.732 1.27 . . . . 73.329999999999998 112.126 174.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.63 73.28 1.42 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.996 -0.547 . . . . 74.109999999999999 111.21 174.058 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 52.0 33.06 11.13 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.514 -0.766 . . . . 73.420000000000002 112.095 176.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.71 ' HB2' HD11 ' A' ' 38' ' ' LEU . 81.7 mt -60.78 -39.13 87.71 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 112.501 0.556 . . . . 64.239999999999995 112.501 -176.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.575 ' N ' HD11 ' A' ' 38' ' ' LEU . 17.1 m80 -106.18 91.52 3.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.129 0.49 . . . . 52.439999999999998 110.784 178.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.496 HD13 ' N ' ' A' ' 45' ' ' THR . 2.5 tm? -127.93 147.23 50.47 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.01 -1.107 . . . . 72.420000000000002 108.01 177.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.496 ' N ' HD13 ' A' ' 44' ' ' LEU . 1.8 m -56.56 107.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.034 0.445 . . . . 63.43 110.995 -179.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.731 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -120.07 151.04 39.61 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.038 0.446 . . . . 62.340000000000003 110.407 -178.739 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -128.48 150.87 49.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.886 -0.597 . . . . 63.140000000000001 109.854 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -87.69 117.12 26.29 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 109.572 -0.529 . . . . 72.109999999999999 109.572 173.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.98 82.71 1.09 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 121.007 -0.616 . . . . 72.25 111.641 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.619 ' HE1' HG23 ' A' ' 67' ' ' VAL . 3.0 m-85 -78.58 139.24 38.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.668 0.271 . . . . 62.439999999999998 110.49 177.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.692 ' OG ' HD12 ' A' ' 58' ' ' ILE . 8.9 t -161.71 140.44 9.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.352 -0.386 . . . . 53.439999999999998 110.753 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.56 ' CG ' HD21 ' A' ' 78' ' ' LEU . 52.3 t80 -98.23 124.08 42.64 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 109.704 -0.48 . . . . 75.230000000000004 109.704 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -95.02 138.1 33.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.269 -0.878 . . . . 71.420000000000002 111.73 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.461 ' HB3' HG23 ' A' ' 59' ' ' VAL . 14.2 tpt180 -141.74 104.63 4.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.124 -0.944 . . . . 65.120000000000005 109.627 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.486 ' HA ' ' OD1' ' A' ' 20' ' ' ASP . 6.0 m-70 59.36 29.76 19.37 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.965 0.412 . . . . 61.340000000000003 111.163 -178.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.49 -3.37 86.62 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.73 -0.747 . . . . 71.299999999999997 112.41 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -97.58 175.7 6.11 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 109.273 -0.64 . . . . 75.310000000000002 109.273 177.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.692 HD12 ' OG ' ' A' ' 51' ' ' SER . 30.8 mm -116.37 121.28 67.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-O 121.403 0.62 . . . . 73.430000000000007 110.779 -178.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.63 HG11 HD13 ' A' ' 89' ' ' LEU . 89.6 t -101.68 -39.58 6.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.094 -0.957 . . . . 54.140000000000001 109.854 177.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.47 ' HB3' ' CB ' ' A' ' 52' ' ' PHE . . . -123.92 139.77 53.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.764 -0.653 . . . . 74.019999999999996 110.491 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -148.43 136.21 20.78 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.524 -0.547 . . . . 74.120000000000005 109.524 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -151.49 105.34 0.28 Allowed Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.607 -0.597 . . . . 64.109999999999999 111.607 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -93.56 120.6 34.03 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.888 -0.412 . . . . 73.239999999999995 109.888 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.538 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 62.2 m -150.57 155.05 38.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.207 0.527 . . . . 72.439999999999998 111.939 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -67.97 -23.61 65.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.445 -0.798 . . . . 65.450000000000003 110.533 175.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -105.14 126.83 52.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.62 -0.718 . . . . 63.439999999999998 110.576 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.619 HG23 ' HE1' ' A' ' 50' ' ' PHE . 7.2 p -56.76 -38.76 59.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 115.902 -0.59 . . . . 70.230000000000004 111.032 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.581 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . . . -70.25 -42.32 72.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.35 -0.386 . . . . 52.229999999999997 111.779 178.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -64.91 -45.82 84.29 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.989 0.423 . . . . 70.129999999999995 110.346 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.538 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -58.94 -43.54 91.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.969 0.89 . . . . 43.210000000000001 110.34 177.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.581 ' HE3' ' HA ' ' A' ' 68' ' ' ALA . 19.4 ttpp -62.43 -40.6 97.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.054 -1.43 . . . . 73.530000000000001 110.201 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -59.27 -48.81 80.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.993 -1.003 . . . . 65.319999999999993 110.837 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.0 mt -60.02 -49.73 82.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.865 -0.607 . . . . 72.010000000000005 110.897 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.494 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 56.0 ttp -50.93 -51.5 51.62 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.764 -0.653 . . . . 74.430000000000007 110.716 175.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.583 ' HA ' HG21 ' A' ' 5' ' ' ILE . 44.2 mttm -58.7 -49.19 78.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.604 -0.725 . . . . 52.32 111.539 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -59.2 -27.49 65.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.515 -0.311 . . . . 75.129999999999995 111.673 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 74' ' ' MET . 23.9 mmm180 -58.76 -66.29 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.425 -0.352 . . . . 74.230000000000004 111.1 176.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.738 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -67.01 -31.89 72.74 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 120.204 -0.598 . . . . 74.25 110.147 -179.269 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -51.31 -48.08 62.42 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.865 -0.607 . . . . 62.32 110.561 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 8.3 mmmt -70.38 -32.47 70.15 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.866 -0.334 . . . . 71.140000000000001 110.906 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.604 HD23 ' HB2' ' A' ' 89' ' ' LEU . 4.1 mp -64.85 -43.59 92.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.719 -0.219 . . . . 64.420000000000002 111.552 -178.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.56 HD21 HD11 ' A' ' 5' ' ' ILE . 1.2 pp -78.62 -19.21 53.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.814 0.34 . . . . 53.310000000000002 111.563 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -84.89 -41.3 16.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.032 0.444 . . . . 75.109999999999999 111.036 176.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.12 -11.87 48.79 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.685 -0.689 . . . . 75.209999999999994 110.132 -176.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp 64.07 39.04 8.07 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.545 -0.752 . . . . 74.319999999999993 111.505 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.4 m -79.72 134.56 36.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.331 -0.85 . . . . 75.019999999999996 109.888 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.436 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 3.9 p-10 -74.07 5.17 4.56 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.192 0.442 . . . . 72.209999999999994 112.192 -172.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.86 -43.86 87.16 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 121.12 -0.232 . . . . 75.420000000000002 111.044 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 78' ' ' LEU . 12.8 tp -100.46 -15.47 17.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.482 0.658 . . . . 71.209999999999994 110.774 174.151 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.457 HD11 ' HA ' ' A' ' 82' ' ' LEU . 13.9 mt -110.36 25.92 11.25 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 113.148 0.796 . . . . 74.200000000000003 113.148 -170.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.436 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 27.8 p90 -79.56 159.55 26.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.939 0.4 . . . . 71.540000000000006 111.41 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.2 p -88.69 147.14 24.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.954 -0.566 . . . . 63.020000000000003 110.431 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 22.1 p -141.37 -173.0 3.63 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.937 -0.574 . . . . 62.140000000000001 110.086 -175.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.562 ' HA ' ' O ' ' A' ' 97' ' ' PHE . 52.6 t30 -112.95 65.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.589 0.233 . . . . 61.450000000000003 111.255 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.597 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 13.5 m -92.25 -6.87 49.64 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.977 -0.452 . . . . 74.510000000000005 110.718 172.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.477 ' HE2' ' CD2' ' A' ' 97' ' ' PHE . 17.5 ptmt -158.07 -42.27 0.06 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.019 0.438 . . . . 74.049999999999997 110.78 -178.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.562 ' O ' ' HA ' ' A' ' 94' ' ' ASN . 25.7 p90 -143.47 -177.77 5.55 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.602 -0.888 . . . . 54.049999999999997 108.602 175.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.1 p -174.61 146.57 1.01 Allowed 'General case' 0 CA--C 1.515 -0.382 0 O-C-N 123.395 0.434 . . . . 71.400000000000006 110.852 172.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt 61.29 78.01 0.31 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.25 -0.886 . . . . 61.32 112.041 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.406 ' HB3' ' HE2' ' A' ' 100' ' ' LYS . 33.6 ttpt -99.7 -50.2 4.13 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.018 -1.104 . . . . 72.439999999999998 108.018 171.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.461 ' HA ' ' HD2' ' A' ' 101' ' ' LYS . 14.2 tptt . . . . . 0 C--O 1.252 1.233 0 CA-C-N 114.531 -1.213 . . . . 53.350000000000001 109.023 173.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 120.822 0.344 . . . . 72.540000000000006 110.726 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -137.46 114.18 10.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.825 -0.625 . . . . 70.120000000000005 109.675 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.54 127.17 8.23 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.786 -0.721 . . . . 64.310000000000002 112.197 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -96.0 43.66 1.08 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.651 0.241 . . . . 74.230000000000004 111.651 -176.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.566 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -61.83 -32.95 55.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 120.623 0.249 . . . . 73.430000000000007 110.552 -178.557 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -64.93 -33.85 77.02 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.145 0.497 . . . . 55.32 109.981 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.596 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 1.3 t-80 -63.09 -46.29 88.08 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.122 -0.695 . . . . 74.409999999999997 109.122 176.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 59.5 mmtt -61.58 -52.23 65.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.624 -0.716 . . . . 63.119999999999997 111.246 -175.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.647 HG22 HD22 ' A' ' 13' ' ' LEU . 3.7 p -61.76 -41.14 89.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 71.209999999999994 111.89 -175.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.422 ' CD1' HG13 ' A' ' 9' ' ' VAL . 12.3 m-30 -71.5 -27.63 63.35 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.571 -0.452 . . . . 73.319999999999993 110.067 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 16.5 mm-40 -57.3 -54.46 46.53 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.866 -0.607 . . . . 61.409999999999997 111.312 -177.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.657 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -85.54 -41.43 15.3 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.671 -0.695 . . . . 73.140000000000001 111.108 -175.614 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.814 HD23 ' CD2' ' A' ' 21' ' ' PHE . 2.9 mp -51.84 -45.78 64.12 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.136 0.791 . . . . 71.120000000000005 113.136 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.515 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 18.2 pttm -66.16 -29.27 69.53 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.97 -0.381 . . . . 74.140000000000001 109.97 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -73.57 -41.67 62.62 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.399 0.619 . . . . 65.340000000000003 110.442 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.657 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 21.7 mt-30 -64.1 -9.55 17.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.999 -1.0 . . . . 44.210000000000001 110.784 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.665 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 92.47 33.65 7.44 Favored Glycine 0 N--CA 1.433 -1.514 0 CA-C-N 115.55 -0.75 . . . . 55.219999999999999 111.778 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.522 ' HB3' ' HE2' ' A' ' 21' ' ' PHE . 2.3 t -115.7 139.95 49.66 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 120.164 -0.614 . . . . 61.140000000000001 111.174 173.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.404 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -120.92 -8.69 9.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.154 0.502 . . . . 74.109999999999999 109.994 168.862 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.593 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 21.6 t0 -93.1 88.35 6.06 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.489 -0.778 . . . . 41.310000000000002 111.235 -173.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.814 ' CD2' HD23 ' A' ' 13' ' ' LEU . 6.2 p90 -168.1 165.49 13.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.776 -1.102 . . . . 73.150000000000006 111.122 177.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.65 -179.38 42.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.221 -0.514 . . . . 71.409999999999997 112.21 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.1 p -112.76 134.58 54.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.785 0.292 . . . . 65.310000000000002 110.949 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HG2' ' HB2' ' A' ' 51' ' ' SER . 0.2 OUTLIER -102.88 149.0 24.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.876 -0.416 . . . . 73.530000000000001 109.876 177.814 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.9 p -144.76 96.57 2.88 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.286 0.565 . . . . 72.099999999999994 110.41 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.2 p -137.6 143.24 34.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.861 -0.609 . . . . 64.200000000000003 109.448 178.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 64.7 mt -74.18 127.87 36.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.231 0.539 . . . . 70.319999999999993 110.72 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -118.75 92.9 3.92 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.457 -0.942 . . . . 53.520000000000003 108.457 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -81.61 141.85 33.32 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.721 -1.127 . . . . 75.319999999999993 111.335 -169.711 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.8 t -95.69 122.73 47.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.559 -0.746 . . . . 55.539999999999999 109.077 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -76.59 61.34 1.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.967 0.413 . . . . 71.439999999999998 111.82 -172.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.2 t -81.48 -43.7 18.45 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.152 -0.685 . . . . 62.409999999999997 109.152 174.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.0 m -104.64 86.41 2.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.603 -0.726 . . . . 72.400000000000006 109.668 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -96.75 -39.78 9.29 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.526 -0.546 . . . . 61.119999999999997 109.526 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.2 117.97 29.36 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.158 -0.682 . . . . 63.420000000000002 109.158 175.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 t -133.86 173.18 11.83 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.874 -0.603 . . . . 74.230000000000004 109.948 -173.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -96.74 20.61 10.65 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.007 0.373 . . . . 53.350000000000001 112.007 -172.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.814 HD11 ' HB2' ' A' ' 42' ' ' LEU . 1.3 pt? -142.43 -179.79 6.49 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.945 -0.302 . . . . 70.409999999999997 110.33 174.322 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -52.47 -73.46 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.908 0.755 . . . . 64.439999999999998 112.095 -175.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.22 167.13 10.52 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.414 -0.812 . . . . 75.209999999999994 109.704 -179.051 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -58.69 97.3 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 O-C-N 123.13 0.269 . . . . 72.010000000000005 110.729 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.814 ' HB2' HD11 ' A' ' 38' ' ' LEU . 59.7 tp -46.92 -59.14 3.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.532 0.682 . . . . 74.049999999999997 109.407 172.049 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.3 p-80 -164.81 161.48 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.967 -1.123 . . . . 73.409999999999997 107.967 169.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -155.0 -171.38 3.81 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.688 -0.486 . . . . 70.239999999999995 109.688 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 m -66.38 94.78 0.28 Allowed 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.533 0.682 . . . . 71.329999999999998 110.211 177.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -114.55 153.97 29.11 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.493 -0.776 . . . . 74.120000000000005 110.146 -175.379 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -130.73 131.95 45.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.128 -0.487 . . . . 73.239999999999995 110.463 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.543 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 4.9 m-30 -71.19 108.52 4.73 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.794 -0.639 . . . . 74.5 109.722 176.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.63 83.77 1.23 Allowed Glycine 0 N--CA 1.441 -0.971 0 C-N-CA 120.846 -0.693 . . . . 74.230000000000004 111.585 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.516 ' CE2' HG23 ' A' ' 67' ' ' VAL . 4.6 m-85 -86.38 131.07 34.29 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.007 0.432 . . . . 73.510000000000005 109.842 175.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.537 ' HB3' HD12 ' A' ' 58' ' ' ILE . 11.7 m -153.29 152.4 31.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.181 -0.463 . . . . 64.030000000000001 110.233 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.595 ' CG ' HD21 ' A' ' 78' ' ' LEU . 30.7 t80 -107.85 126.9 53.22 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.721 -0.474 . . . . 72.420000000000002 109.721 175.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -99.2 135.71 40.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.539 -0.755 . . . . 74.129999999999995 111.663 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.499 HH21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -140.81 104.52 4.71 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.331 -0.988 . . . . 74.329999999999998 108.331 175.78 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.593 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 10.6 m-70 63.79 33.35 12.88 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.156 -0.475 . . . . 73.430000000000007 111.689 -173.2 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.44 -4.96 57.87 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.572 -0.823 . . . . 24.030000000000001 112.416 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -88.71 173.38 8.62 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 109.484 -0.561 . . . . 72.230000000000004 109.484 176.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.537 HD12 ' HB3' ' A' ' 51' ' ' SER . 23.0 mm -109.99 117.19 54.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-O 121.447 0.641 . . . . 71.010000000000005 110.614 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.686 HG11 HD13 ' A' ' 89' ' ' LEU . 72.6 t -96.12 -38.66 8.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.112 -0.949 . . . . 73.049999999999997 109.831 176.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -128.34 142.59 51.08 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.709 -0.678 . . . . 63.119999999999997 110.452 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -145.29 138.76 26.61 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.676 -0.49 . . . . 61.030000000000001 109.676 175.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.69 107.35 0.27 Allowed Glycine 0 N--CA 1.44 -1.08 0 N-CA-C 111.507 -0.637 . . . . 52.25 111.507 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 7.6 ptpp? -101.88 144.29 30.72 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.375 -0.602 . . . . 72.540000000000006 109.375 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.3 t -159.91 162.09 34.44 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.846 -0.615 . . . . 74.099999999999994 109.767 -178.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -70.47 -20.12 62.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.642 0.258 . . . . 73.099999999999994 110.59 -178.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.441 ' HD3' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -118.01 144.91 45.16 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.14 -0.482 . . . . 62.25 110.566 -179.611 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.518 HG22 ' HE2' ' A' ' 71' ' ' LYS . 3.6 p -61.01 -45.11 99.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.618 -0.719 . . . . 71.239999999999995 111.731 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.77 97.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.723 0.297 . . . . 72.319999999999993 111.427 -177.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -66.75 -46.73 74.47 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.849 -0.426 . . . . 73.150000000000006 109.849 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.37 -49.52 76.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.774 -0.648 . . . . 32.420000000000002 111.438 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.518 ' HE2' HG22 ' A' ' 67' ' ' VAL . 56.6 mtmt -56.39 -43.95 79.76 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.082 0.468 . . . . 74.349999999999994 110.589 177.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -55.31 -46.4 76.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.386 -0.825 . . . . 73.129999999999995 111.148 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.425 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 35.5 mt -60.8 -53.72 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.64 -0.709 . . . . 73.099999999999994 111.579 -178.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.467 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.6 ptt? -62.61 -37.66 87.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.542 -0.299 . . . . 73.409999999999997 110.738 -177.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.566 ' HA ' HG21 ' A' ' 5' ' ' ILE . 60.9 mttm -57.45 -50.66 72.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.616 -0.265 . . . . 75.219999999999999 110.773 178.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -59.57 -24.53 63.81 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.212 -0.449 . . . . 73.310000000000002 111.406 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.511 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 14.6 mmt85 -62.23 -66.57 0.52 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.5 -0.318 . . . . 73.25 110.457 178.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.797 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -66.93 -31.96 72.9 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 120.64 -0.424 . . . . 74.099999999999994 110.221 -179.394 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -51.75 -45.0 63.52 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.813 -0.631 . . . . 71.310000000000002 110.526 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -75.22 -30.71 60.66 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.893 -0.323 . . . . 73.319999999999993 111.156 178.242 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 87.0 mt -66.14 -39.48 89.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.638 -0.255 . . . . 74.549999999999997 111.072 -177.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 5' ' ' ILE . 1.1 pp -80.82 -22.04 40.34 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.739 0.274 . . . . 70.030000000000001 111.739 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -82.13 -37.75 25.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.282 0.563 . . . . 71.510000000000005 110.623 176.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -83.83 -19.51 34.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.591 -0.731 . . . . 62.219999999999999 110.01 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.458 ' HA ' ' CD1' ' A' ' 90' ' ' LEU . 48.9 mmtm 65.43 46.61 2.5 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.191 -0.913 . . . . 72.400000000000006 109.665 -175.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 m -81.07 134.76 35.72 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.664 -1.153 . . . . 74.140000000000001 109.809 177.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -64.91 -10.81 31.62 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.234 0.457 . . . . 65.010000000000005 112.234 -176.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.481 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -57.13 -39.67 75.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.673 0.273 . . . . 71.530000000000001 111.478 -176.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.797 HD22 ' HB3' ' A' ' 78' ' ' LEU . 24.0 tp -107.86 -21.28 12.9 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.424 0.631 . . . . 71.239999999999995 110.596 177.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 85' ' ' LYS . 8.0 mt -109.51 24.35 13.19 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.503 -0.771 . . . . 63.240000000000002 112.225 -169.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -73.04 158.8 34.71 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.076 0.465 . . . . 75.439999999999998 110.943 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.9 m -83.82 140.99 31.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.337 -0.847 . . . . 64.209999999999994 110.551 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.6 p -145.3 163.31 34.89 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.622 -0.717 . . . . 62.020000000000003 109.427 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -106.74 70.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.507 -0.477 . . . . 74.140000000000001 111.376 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.665 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 40.8 m -85.21 -34.4 22.03 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 119.937 -0.705 . . . . 74.109999999999999 110.237 170.03 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.51 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 22.4 ptmt -120.83 -41.14 2.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.139 -0.482 . . . . 73.400000000000006 109.824 172.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.51 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 31.8 p90 -168.91 170.78 8.84 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.133 -0.692 . . . . 75.010000000000005 109.133 174.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.4 p -179.62 -152.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.708 0.63 . . . . 63.210000000000001 109.84 174.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -111.72 155.42 23.5 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 120.859 0.362 . . . . 64.109999999999999 110.467 -175.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.744 ' HG3' ' HG2' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -81.47 -73.24 0.39 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.027 -0.533 . . . . 75.329999999999998 110.59 -178.42 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.744 ' HG2' ' HG3' ' A' ' 100' ' ' LYS . 34.4 mmtp . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.614 -0.708 . . . . 53.409999999999997 110.01 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.96 ' HG3' ' HD3' ' A' ' 2' ' ' LYS . 3.3 tpt . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 109.68 -0.489 . . . . 75.219999999999999 109.68 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.96 ' HD3' ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -172.77 139.79 0.92 Allowed 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.33 -0.618 . . . . 74.230000000000004 109.33 173.028 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.65 -154.37 29.52 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.6 -0.809 . . . . 64.430000000000007 112.572 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.514 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 23.4 t70 -94.63 134.31 37.34 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.31 -0.255 . . . . 64.530000000000001 110.31 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.603 HD11 HD21 ' A' ' 82' ' ' LEU . 4.0 tp -72.44 -28.3 28.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.027 0.38 . . . . 71.319999999999993 112.027 -171.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.598 ' O ' ' HD1' ' A' ' 10' ' ' TYR . 41.4 mt-10 -65.81 -43.0 89.94 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 109.043 -0.725 . . . . 61.350000000000001 109.043 -177.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.441 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 68.5 m80 -57.05 -43.94 82.5 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.561 -0.745 . . . . 72.530000000000001 110.201 175.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 66.9 mmtt -62.35 -51.16 68.73 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.172 -0.467 . . . . 60.409999999999997 110.218 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.652 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 57.1 t -48.67 -52.69 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 O-C-N 123.891 0.744 . . . . 62.32 111.295 178.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.598 ' HD1' ' O ' ' A' ' 6' ' ' GLU . 27.1 m-85 -64.06 -45.15 90.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.579 -0.282 . . . . 63.140000000000001 110.465 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 22.1 mm-40 -50.88 -39.52 54.17 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.836 0.68 . . . . 73.109999999999999 112.836 -174.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.58 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -100.63 -48.1 4.63 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.505 -0.478 . . . . 62.509999999999998 112.226 -179.124 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.815 HD13 HH11 ' A' ' 54' ' ' ARG . 25.6 mt -59.31 -44.03 92.59 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.256 0.465 . . . . 73.010000000000005 112.256 -173.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.647 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 18.9 pttp -65.42 -28.04 68.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.295 0.569 . . . . 65.340000000000003 109.942 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.52 -13.27 43.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.462 -0.79 . . . . 75.200000000000003 111.074 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 36.0 mt-30 -82.15 -28.55 32.07 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.595 0.712 . . . . 74.140000000000001 109.422 173.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.553 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 116.35 29.98 2.18 Favored Glycine 0 N--CA 1.437 -1.257 0 CA-C-N 114.976 -1.011 . . . . 41.310000000000002 111.515 -174.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.647 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 4.3 t -121.45 134.24 55.08 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.721 -0.391 . . . . 63.25 110.021 173.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.22 -1.9 9.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.556 0.693 . . . . 64.109999999999999 109.841 170.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -94.88 84.17 4.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.193 -0.912 . . . . 61.329999999999998 110.738 -173.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 6.7 p90 -165.2 161.77 19.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.508 -0.769 . . . . 72.120000000000005 111.217 176.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.3 -176.96 45.82 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.877 -0.601 . . . . 42.43 111.812 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.2 p -123.5 144.81 49.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.07 0.435 . . . . 74.219999999999999 111.035 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -126.21 151.24 47.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 74.319999999999993 110.433 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.8 p -129.21 75.21 1.63 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.546 0.689 . . . . 71.319999999999993 109.654 174.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -88.95 131.17 36.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.523 -0.762 . . . . 74.439999999999998 109.729 -178.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.2 mt -78.85 127.87 38.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.165 0.507 . . . . 62.530000000000001 111.102 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -116.3 101.33 8.58 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.69 -0.855 . . . . 70.109999999999999 108.69 172.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.609 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -79.94 130.26 35.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.726 -0.67 . . . . 72.329999999999998 110.354 -177.778 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.0 t -93.39 99.13 9.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.942 -0.762 . . . . 61.509999999999998 108.942 175.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.866 ' HA ' HD22 ' A' ' 44' ' ' LEU . 10.3 pttp -75.66 158.23 32.65 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.95 -0.568 . . . . 74.439999999999998 109.516 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.7 t -105.58 -166.65 1.23 Allowed 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.155 0.502 . . . . 71.430000000000007 110.208 -175.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.4 t -129.63 23.4 5.44 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.497 -0.927 . . . . 62.229999999999997 108.497 176.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -64.62 156.0 31.45 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.171 -0.922 . . . . 63.140000000000001 110.98 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HB2' ' HE3' ' A' ' 35' ' ' LYS . 46.3 mtmt -88.48 91.82 8.94 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.589 -0.893 . . . . 72.510000000000005 108.589 172.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.45 ' OG1' HD23 ' A' ' 38' ' ' LEU . 13.3 t -76.95 165.74 24.26 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.538 -0.756 . . . . 74.219999999999999 110.842 -172.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.3 mt -104.36 4.25 33.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 74.040000000000006 110.893 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.45 HD23 ' OG1' ' A' ' 36' ' ' THR . 2.5 pt? -139.7 -163.72 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.325 -0.398 . . . . 54.009999999999998 110.352 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -44.42 -66.04 0.44 Allowed 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.845 0.715 . . . . 64.299999999999997 112.025 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.9 p -127.49 -171.79 2.51 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.073 -0.714 . . . . 65.439999999999998 109.073 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.34 95.97 2.25 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 108.03 -1.1 . . . . 74.310000000000002 108.03 167.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.6 tt -32.4 -56.86 0.34 Allowed 'General case' 0 N--CA 1.473 0.682 0 O-C-N 124.284 0.99 . . . . 72.310000000000002 111.972 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -125.32 136.46 53.5 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.612 -0.514 . . . . 73.329999999999998 109.612 176.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.866 HD22 ' HA ' ' A' ' 31' ' ' LYS . 1.5 pp -136.44 178.08 7.34 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.228 -0.442 . . . . 60.409999999999997 110.461 178.091 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.2 m -83.19 103.72 12.82 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.394 0.616 . . . . 74.129999999999995 110.565 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.609 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -106.92 152.05 24.46 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.678 -0.692 . . . . 74.519999999999996 109.806 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -124.82 148.08 48.39 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.457 0.646 . . . . 74.310000000000002 111.655 -173.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -83.48 108.85 16.89 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.732 -1.122 . . . . 73.109999999999999 110.236 176.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.56 72.54 2.72 Favored Glycine 0 N--CA 1.442 -0.945 0 C-N-CA 120.807 -0.711 . . . . 73.319999999999993 111.505 176.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.531 ' HE2' HG23 ' A' ' 67' ' ' VAL . 2.1 m-85 -69.25 121.27 16.48 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.496 -0.557 . . . . 74.439999999999998 109.496 176.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.697 ' OG ' HD12 ' A' ' 58' ' ' ILE . 7.4 t -142.46 142.8 32.37 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.313 -0.555 . . . . 53.340000000000003 110.87 -177.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.652 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 69.0 t80 -95.96 126.71 41.39 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.907 -0.588 . . . . 73.230000000000004 110.227 177.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -102.18 137.77 40.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.15 0.906 . . . . 75.019999999999996 111.209 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.815 HH11 HD13 ' A' ' 13' ' ' LEU . 13.0 ttt180 -149.57 126.7 11.31 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.335 -0.848 . . . . 73.540000000000006 109.359 171.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 53.93 32.53 15.44 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.423 0.527 . . . . 75.340000000000003 112.423 -175.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.22 9.75 81.04 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.657 -0.782 . . . . 72.430000000000007 112.754 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -111.87 174.24 5.97 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 109.587 -0.523 . . . . 44.240000000000002 109.587 176.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.697 HD12 ' OG ' ' A' ' 51' ' ' SER . 29.2 mm -108.53 116.82 52.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.604 -0.725 . . . . 73.099999999999994 110.486 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.58 HG11 HD13 ' A' ' 89' ' ' LEU . 60.5 t -93.8 -37.82 8.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.541 -0.754 . . . . 51.030000000000001 110.079 176.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -132.43 139.98 48.25 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.123 -0.49 . . . . 32.530000000000001 111.109 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.43 ' CE2' ' HB2' ' A' ' 63' ' ' LYS . 54.4 t80 -139.21 135.53 34.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.901 0.381 . . . . 53.200000000000003 110.11 172.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -146.57 109.94 0.51 Allowed Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.861 -0.609 . . . . 73.129999999999995 111.606 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.43 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 38.7 ttmt -103.56 118.12 35.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.547 0.213 . . . . 50.549999999999997 110.487 -177.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.6 t -149.71 168.8 22.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.94 0.4 . . . . 51.32 110.795 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.401 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 8.6 ptp85 -86.13 -9.68 56.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.871 -0.604 . . . . 71.549999999999997 110.234 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.603 ' HB2' ' HB3' ' A' ' 69' ' ' ASN . 19.9 mmtm -107.1 129.26 54.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.826 -0.624 . . . . 72.099999999999994 109.32 176.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.564 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 7.9 p -54.83 -43.47 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.027 0.441 . . . . 75.340000000000003 110.644 176.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.479 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . . . -74.34 -34.42 63.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.943 -0.571 . . . . 53.240000000000002 112.162 -178.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.603 ' HB3' ' HB2' ' A' ' 66' ' ' LYS . 3.0 t-20 -73.4 -45.76 52.79 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.771 0.319 . . . . 75.109999999999999 110.161 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.44 ' HA ' HD12 ' A' ' 73' ' ' ILE . . . -57.5 -47.12 82.8 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.856 0.836 . . . . 62.299999999999997 109.923 175.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.564 ' HB2' ' O ' ' A' ' 67' ' ' VAL . 23.1 ttpt -59.36 -41.39 89.14 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.008 -1.451 . . . . 71.209999999999994 110.147 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.443 ' HB3' ' O ' ' A' ' 69' ' ' ASN . 53.4 t80 -59.07 -47.68 84.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.622 -0.717 . . . . 74.200000000000003 111.27 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 70' ' ' ALA . 45.6 mt -58.54 -53.14 50.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.948 -0.569 . . . . 72.109999999999999 111.16 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.2 ptt? -61.43 -36.89 81.64 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.793 -0.363 . . . . 62.43 110.218 178.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.579 ' HG2' ' CG2' ' A' ' 5' ' ' ILE . 79.2 mttt -55.99 -50.62 70.34 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-O 120.367 0.127 . . . . 72.109999999999999 110.813 176.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -57.38 -28.79 63.52 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.162 -0.472 . . . . 71.400000000000006 111.665 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.553 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 36.5 mmt180 -60.67 -64.99 0.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.385 -0.37 . . . . 73.299999999999997 110.484 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.716 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -67.36 -32.12 72.83 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.663 -0.415 . . . . 63.219999999999999 110.67 179.523 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 3.2 tm? -53.48 -51.3 63.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.149 -0.478 . . . . 73.120000000000005 109.879 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -65.63 -31.37 72.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.232 -0.44 . . . . 65.239999999999995 110.791 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 89.8 mt -68.29 -38.17 81.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.649 -0.25 . . . . 75.349999999999994 111.065 -177.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.603 HD21 HD11 ' A' ' 5' ' ' ILE . 1.4 pp -81.06 -35.27 31.98 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.797 -0.361 . . . . 72.129999999999995 111.127 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -67.32 -37.09 82.75 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.385 0.612 . . . . 72.319999999999993 110.796 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -89.15 -17.23 29.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.466 -0.788 . . . . 70.430000000000007 110.166 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 63.39 48.97 3.34 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.209 -0.905 . . . . 64.420000000000002 110.511 -177.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.3 m -88.16 144.2 26.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.917 -1.038 . . . . 72.439999999999998 110.529 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.585 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 2.9 p-10 -77.87 7.52 5.83 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.459 0.54 . . . . 74.129999999999995 112.459 -173.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.71 -37.87 73.59 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 121.054 -0.258 . . . . 74.430000000000007 111.252 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.716 HD22 ' HB3' ' A' ' 78' ' ' LEU . 14.0 tp -109.29 -25.79 10.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.398 0.618 . . . . 73.040000000000006 110.283 177.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.515 HD11 ' HA ' ' A' ' 82' ' ' LEU . 5.6 mt -105.01 24.78 11.41 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.478 -0.783 . . . . 64.329999999999998 112.122 -170.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.585 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 43.2 p90 -73.65 164.48 26.59 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.227 0.537 . . . . 64.409999999999997 111.654 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.3 m -85.32 134.06 34.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.531 -0.758 . . . . 63.299999999999997 110.069 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.1 p -137.33 179.43 6.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.848 -0.615 . . . . 71.549999999999997 110.288 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -113.87 76.61 0.99 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.914 0.387 . . . . 53.039999999999999 111.128 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.553 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 65.0 m -98.79 -1.49 40.28 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.287 0.565 . . . . 70.230000000000004 109.616 164.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.629 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 19.3 ptmt -163.5 -56.52 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.263 -0.88 . . . . 62.039999999999999 110.144 177.044 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.629 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 34.8 p90 -168.17 164.47 13.35 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 110.087 -0.338 . . . . 73.519999999999996 110.087 177.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.3 p 174.38 175.79 0.16 Allowed 'General case' 0 C--O 1.235 0.339 0 O-C-N 123.944 0.777 . . . . 71.010000000000005 110.159 174.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 99' ' ' LYS . 19.4 mtmt -97.69 5.24 49.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.617 -0.72 . . . . 71.209999999999994 110.955 -175.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.6 ' HE2' ' HA ' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -91.94 125.23 36.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.13 -0.486 . . . . 74.340000000000003 110.311 -177.639 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.578 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 2.6 mptp? . . . . . 0 C--O 1.249 1.04 0 N-CA-C 109.545 -0.539 . . . . 74.230000000000004 109.545 173.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.7 ttp . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.527 0.203 . . . . 71.450000000000003 111.381 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -100.63 137.56 38.87 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.835 0.35 . . . . 71.519999999999996 111.342 -175.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.22 177.98 16.12 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.947 -0.57 . . . . 64.340000000000003 113.043 174.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.514 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 8.2 t70 -78.03 130.99 37.14 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.99 -0.374 . . . . 63.439999999999998 109.99 177.183 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.611 ' O ' HG23 ' A' ' 9' ' ' VAL . 6.1 tp -68.1 -31.6 52.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.105 -0.498 . . . . 65.450000000000003 111.691 -172.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.64 -45.84 88.4 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.502 -0.555 . . . . 64.519999999999996 109.502 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.673 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 56.4 m80 -54.3 -45.99 72.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.892 -0.594 . . . . 74.349999999999994 110.341 174.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 65.0 mmtt -61.0 -52.64 64.16 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.225 0.328 . . . . 75.420000000000002 110.484 -178.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.675 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 59.9 t -53.12 -44.73 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 115.724 -0.671 . . . . 72.140000000000001 110.836 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.595 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 11.8 m-30 -65.33 -46.95 78.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.679 -0.489 . . . . 75.530000000000001 109.679 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.673 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 22.2 mm-40 -48.79 -53.8 17.69 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.759 0.662 . . . . 64.409999999999997 112.637 -173.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.539 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -85.02 -40.77 16.47 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.009 -0.541 . . . . 71.439999999999998 111.832 -174.68 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.522 ' H ' HD12 ' A' ' 12' ' ' LEU . 21.9 mt -63.86 -47.08 82.12 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.194 0.442 . . . . 70.200000000000003 112.194 -177.246 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 20.4 pttp -68.54 -17.29 64.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.171 0.51 . . . . 71.230000000000004 109.86 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 12' ' ' LEU . 17.5 t70 -77.52 -46.81 21.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.484 -0.78 . . . . 71.420000000000002 110.713 175.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.539 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 13.8 mt-30 -62.37 -31.15 71.76 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.711 -0.677 . . . . 72.439999999999998 110.224 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.621 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 119.29 36.18 0.88 Allowed Glycine 0 N--CA 1.437 -1.256 0 CA-C-N 114.999 -1.001 . . . . 10.43 111.622 -177.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 6.7 t -119.82 127.44 52.78 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.672 -0.411 . . . . 64.430000000000007 110.834 175.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -137.08 69.61 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.691 0.757 . . . . 61.130000000000003 109.494 166.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -153.01 80.83 1.2 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.608 -1.178 . . . . 62.200000000000003 108.13 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.443 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 3.8 p90 -165.54 161.54 18.6 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.942 -1.027 . . . . 63.549999999999997 110.328 -177.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.66 -172.23 45.19 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.381 -0.687 . . . . 55.200000000000003 111.381 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.4 p -125.38 144.01 50.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.974 0.387 . . . . 74.230000000000004 111.286 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.33 123.89 32.92 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.392 0.615 . . . . 65.109999999999999 110.245 171.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.6 p -97.21 82.51 3.18 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.571 -0.74 . . . . 73.140000000000001 109.784 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -85.23 162.51 2.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.052 -0.721 . . . . 44.210000000000001 109.052 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.2 mt -111.19 130.51 64.54 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-O 121.038 0.446 . . . . 73.329999999999998 110.665 176.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -121.01 103.88 9.37 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.39 -0.823 . . . . 74.420000000000002 109.115 174.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.679 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -79.09 135.03 36.73 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.862 -0.608 . . . . 74.120000000000005 110.605 -176.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.8 t -82.96 93.32 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-O 121.662 0.744 . . . . 71.329999999999998 109.491 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.5 mttp -57.62 113.79 1.97 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.447 -1.252 . . . . 64.540000000000006 110.373 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.3 m -86.36 -172.22 3.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.916 -0.584 . . . . 73.120000000000005 110.491 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.8 p -58.92 -62.55 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.25 -0.432 . . . . 74.25 110.308 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -73.2 120.06 18.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.761 -0.654 . . . . 75.099999999999994 109.633 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -120.14 137.63 54.05 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.393 -0.367 . . . . 65.099999999999994 110.835 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -163.15 132.82 4.24 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.536 -0.542 . . . . 72.200000000000003 109.536 176.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.478 ' O ' HD12 ' A' ' 37' ' ' LEU . 3.7 pp -103.55 130.81 51.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.481 -0.327 . . . . 72.540000000000006 110.481 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -169.18 -171.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.147 -0.478 . . . . 74.540000000000006 110.133 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -36.79 -54.17 0.92 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 124.584 1.178 . . . . 74.150000000000006 113.188 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.1 p -105.98 -7.89 17.87 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.225 -0.443 . . . . 74.109999999999999 112.113 -176.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 61.32 25.09 15.11 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.438 -0.578 . . . . 71.329999999999998 109.438 -172.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.6 tp 65.12 21.34 12.17 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 114.796 -1.093 . . . . 54.109999999999999 110.405 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 58.13 74.16 0.44 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.56 -0.746 . . . . 72.25 109.852 -173.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.0 tp -85.88 134.62 33.89 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.145 -0.934 . . . . 73.109999999999999 109.327 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.4 m -58.48 102.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.494 0.664 . . . . 72.150000000000006 109.953 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.679 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -112.51 156.66 22.24 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.279 -0.873 . . . . 75.150000000000006 110.003 -176.09 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.498 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 19.7 m-85 -124.78 138.17 54.29 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.146 -0.479 . . . . 74.239999999999995 110.617 -179.216 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.496 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 5.0 m-30 -74.72 109.06 7.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.573 -0.74 . . . . 74.209999999999994 110.042 176.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.59 71.46 2.99 Favored Glycine 0 N--CA 1.441 -1.022 0 N-CA-C 111.12 -0.792 . . . . 61.340000000000003 111.12 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.554 ' HE2' HG23 ' A' ' 67' ' ' VAL . 1.8 m-85 -65.76 135.91 55.53 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.902 -0.407 . . . . 71.439999999999998 109.902 177.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.508 ' HB2' HD12 ' A' ' 58' ' ' ILE . 6.9 p -157.31 149.27 22.5 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.067 0.46 . . . . 60.439999999999998 111.463 -178.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.675 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 38.8 t80 -106.64 121.28 44.02 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.539 -0.755 . . . . 71.439999999999998 109.736 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -91.04 143.72 26.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.464 -0.789 . . . . 64.140000000000001 111.258 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.526 ' HB3' HG23 ' A' ' 59' ' ' VAL . 14.0 tpt180 -148.01 104.46 3.56 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.085 -0.961 . . . . 72.519999999999996 110.018 -178.064 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 59.96 28.38 17.89 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.238 0.336 . . . . 63.329999999999998 111.483 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.88 -3.21 84.73 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.922 -0.656 . . . . 74.129999999999995 112.395 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -101.62 175.88 5.41 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.798 -0.445 . . . . 62.009999999999998 109.798 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.508 HD12 ' HB2' ' A' ' 51' ' ' SER . 22.3 mm -113.61 118.82 59.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.765 -0.652 . . . . 74.530000000000001 110.789 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.58 HG11 HD13 ' A' ' 89' ' ' LEU . 79.7 t -95.01 -38.93 9.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.717 -0.674 . . . . 62.409999999999997 109.798 176.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.42 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -128.96 140.68 51.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.966 -0.561 . . . . 40.340000000000003 110.748 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.487 ' CD2' ' HB3' ' A' ' 51' ' ' SER . 42.9 t80 -147.74 136.03 21.48 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.746 -0.464 . . . . 74.120000000000005 109.746 173.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.406 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -151.37 96.86 0.17 Allowed Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 111.571 -0.612 . . . . 55.530000000000001 111.571 177.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.498 ' HG3' ' HB3' ' A' ' 47' ' ' TYR . 29.5 ttpt -86.59 115.47 24.08 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 120.777 0.322 . . . . 72.519999999999996 110.952 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.49 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 37.5 t -147.69 152.84 38.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.16 -0.473 . . . . 65.099999999999994 110.738 -177.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -70.35 -28.74 65.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.382 0.61 . . . . 62.009999999999998 110.168 -179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.577 ' HE3' ' HB3' ' A' ' 68' ' ' ALA . 44.3 tttp -93.11 122.27 35.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.334 -0.848 . . . . 73.530000000000001 109.451 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.554 HG23 ' HE2' ' A' ' 50' ' ' PHE . 15.0 p -55.2 -39.48 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.785 0.326 . . . . 75.230000000000004 110.596 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.577 ' HB3' ' HE3' ' A' ' 66' ' ' LYS . . . -69.52 -35.49 75.55 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.315 -0.402 . . . . 53.310000000000002 111.859 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.441 ' HB2' ' HD3' ' A' ' 66' ' ' LYS . 17.9 t-20 -77.32 -40.72 43.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.77 0.319 . . . . 71.150000000000006 110.14 -177.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 64' ' ' SER . . . -58.67 -46.18 87.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.926 -0.579 . . . . 74.400000000000006 110.525 174.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.569 ' CE ' ' HA ' ' A' ' 68' ' ' ALA . 50.1 mtmt -56.11 -47.73 77.53 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.769 -0.65 . . . . 74.409999999999997 110.168 173.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -54.77 -47.35 74.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.167 -0.924 . . . . 74.439999999999998 111.528 -175.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.457 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 37.1 mt -59.7 -55.48 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.769 -0.65 . . . . 74.030000000000001 111.407 -179.064 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.487 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.4 ptt? -62.27 -39.01 91.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.541 -0.3 . . . . 74.200000000000003 110.666 -178.265 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.546 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 54.6 mttm -55.62 -50.92 68.88 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 120.629 0.252 . . . . 44.350000000000001 110.36 178.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -63.35 -20.29 65.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.909 -0.587 . . . . 71.329999999999998 111.65 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 14.0 mmt85 -66.98 -65.87 0.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.515 -0.311 . . . . 72.310000000000002 110.659 178.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.622 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -65.92 -30.18 70.72 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.282 -0.567 . . . . 62.020000000000003 110.68 179.059 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.466 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 3.0 tm? -54.77 -49.7 70.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 73.140000000000001 109.951 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -64.84 -30.13 71.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.48 -0.327 . . . . 55.210000000000001 111.112 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.576 HD23 ' HB2' ' A' ' 89' ' ' LEU . 5.6 mp -69.22 -35.83 76.59 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.462 -0.335 . . . . 72.129999999999995 111.401 -179.183 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.554 HD21 HD11 ' A' ' 5' ' ' ILE . 1.5 pp -86.13 -22.48 27.04 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.83 -0.348 . . . . 73.230000000000004 111.373 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 79' ' ' LEU . 7.8 mm-40 -78.31 -40.37 36.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.269 0.557 . . . . 54.409999999999997 110.357 176.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -91.99 -16.29 26.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.657 -0.701 . . . . 75.099999999999994 110.49 -177.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 64.88 44.86 3.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.254 -0.885 . . . . 74.049999999999997 110.935 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.8 m -80.0 134.86 36.27 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.084 -0.962 . . . . 71.409999999999997 109.943 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -67.0 -3.35 6.93 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.78 0.659 . . . . 72.340000000000003 112.78 -173.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.413 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -63.38 -40.57 97.59 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 121.056 -0.257 . . . . 62.299999999999997 111.193 -176.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.622 HD22 ' HB3' ' A' ' 78' ' ' LEU . 12.2 tp -102.55 -13.59 17.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.511 0.672 . . . . 63.32 110.688 175.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.0 mt -113.67 21.1 15.35 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 112.881 0.696 . . . . 75.439999999999998 112.881 -170.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -70.1 160.81 31.34 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.069 0.461 . . . . 50.130000000000003 111.628 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.2 m -84.78 147.18 26.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.654 -0.703 . . . . 74.439999999999998 110.32 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.4 p -148.7 -178.85 6.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.284 -0.416 . . . . 43.399999999999999 110.586 -175.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -108.96 77.42 1.07 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.299 -0.409 . . . . 64.400000000000006 110.839 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.621 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 25.6 m -102.07 -25.16 13.83 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.268 -0.573 . . . . 71.319999999999993 110.978 166.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.465 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 21.4 ptmt -127.45 -42.71 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 71.409999999999997 110.579 178.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.465 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 21.4 p90 -160.88 -179.05 7.24 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.863 -0.792 . . . . 74.150000000000006 108.863 176.236 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.0 p -173.39 170.2 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.221 0.534 . . . . 62.140000000000001 111.253 173.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' ' 99' ' ' LYS . 16.7 mtmt -103.28 165.79 10.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.918 -1.037 . . . . 62.329999999999998 109.82 -176.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.558 ' HD3' ' HB2' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -79.69 -18.4 51.41 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.668 -0.493 . . . . 72.230000000000004 109.668 178.166 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.558 ' HB2' ' HD3' ' A' ' 100' ' ' LYS . 1.6 tptm . . . . . 0 C--O 1.247 0.957 0 CA-C-N 115.294 -0.866 . . . . 72.120000000000005 109.386 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 112.055 0.391 . . . . 54.43 112.055 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -108.47 88.75 2.8 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.009 -0.367 . . . . 62.229999999999997 110.009 175.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.15 -160.03 53.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.651 -0.785 . . . . 65.25 111.229 -175.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.405 ' HB2' ' ND1' ' A' ' 7' ' ' HIS . 57.1 m-20 -94.51 115.87 28.11 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.242 0.544 . . . . 72.519999999999996 110.646 -179.22 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -66.52 -29.0 45.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.466 -0.788 . . . . 64.310000000000002 110.4 -177.229 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -62.89 -36.0 81.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.607 -0.724 . . . . 72.400000000000006 110.001 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.53 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 39.0 m170 -68.03 -40.21 82.95 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.357 -0.383 . . . . 73.25 110.192 177.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -62.47 -48.33 80.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 72.140000000000001 110.698 -178.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.4 HG22 HD12 ' A' ' 13' ' ' LEU . 13.0 p -63.98 -35.86 74.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 65.010000000000005 111.084 -177.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -65.96 -40.27 91.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.64 -0.504 . . . . 75.319999999999993 109.64 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 70.9 mm-40 -56.48 -50.6 71.29 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.676 -0.693 . . . . 63.5 112.566 -170.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.424 ' H ' ' HG ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -87.28 -36.94 17.62 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.298 -0.41 . . . . 61.420000000000002 111.724 -174.551 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.4 HD12 HG22 ' A' ' 9' ' ' VAL . 23.5 mt -64.58 -44.49 90.49 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 111.9 0.333 . . . . 54.32 111.9 -178.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -21.64 63.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.069 0.461 . . . . 73.129999999999995 110.215 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -72.46 -45.61 58.75 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.797 -0.638 . . . . 74.25 110.28 175.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -66.82 -22.04 66.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.472 -0.785 . . . . 55.350000000000001 109.917 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.583 ' HA3' ' HD3' ' A' ' 96' ' ' LYS . . . 105.36 37.11 2.71 Favored Glycine 0 N--CA 1.438 -1.169 0 CA-C-N 115.395 -0.82 . . . . 54.439999999999998 112.339 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.6 t -109.95 138.64 46.04 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.427 -0.509 . . . . 73.439999999999998 110.07 173.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.423 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.1 OUTLIER -122.49 -0.18 9.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.062 0.458 . . . . 73.329999999999998 110.338 172.47 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.572 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 24.3 t70 -105.69 84.13 2.03 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.861 -0.608 . . . . 62.119999999999997 111.4 -171.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -166.4 150.55 7.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.279 -0.873 . . . . 73.230000000000004 110.644 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.56 177.84 43.5 Favored Glycine 0 C--O 1.228 -0.24 0 C-N-CA 121.202 -0.523 . . . . 54.020000000000003 112.145 -179.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.8 p -105.79 152.68 22.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.88 0.34 . . . . 65.349999999999994 111.344 -178.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.72 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 20.5 ptmt -134.92 154.76 51.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.859 0.361 . . . . 70.430000000000007 110.466 175.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.5 p -139.6 88.94 2.29 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.283 0.563 . . . . 74.439999999999998 109.985 173.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.5 p -96.18 135.89 28.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.86 -0.609 . . . . 75.219999999999999 109.915 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.3 mt -87.44 130.5 37.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.195 0.521 . . . . 75.299999999999997 110.889 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -111.25 100.53 9.15 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.348 -0.842 . . . . 53.420000000000002 109.413 175.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.695 ' HG3' HG21 ' A' ' 40' ' ' THR . 0.3 OUTLIER -83.26 121.03 26.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.686 -0.688 . . . . 71.219999999999999 110.672 -176.82 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.4 t -95.48 152.98 3.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.74 -0.664 . . . . 64.120000000000005 110.052 -175.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 31' ' ' LYS . 3.4 tppp? 70.82 21.22 5.23 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.723 0.773 . . . . 54.420000000000002 109.78 -177.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.8 t -87.05 99.65 12.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.753 -0.658 . . . . 42.340000000000003 110.109 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.4 m -122.94 -17.27 6.81 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.065 -0.516 . . . . 73.209999999999994 110.775 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -118.48 166.27 12.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.356 -0.384 . . . . 72.230000000000004 110.259 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -130.36 126.29 36.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.697 0.284 . . . . 75.409999999999997 110.53 178.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.54 HG23 ' CD2' ' A' ' 38' ' ' LEU . 9.9 t -120.42 -170.42 1.98 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.526 -0.546 . . . . 74.120000000000005 109.526 177.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -80.46 72.61 7.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.768 0.655 . . . . 72.120000000000005 112.768 -168.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.54 ' CD2' HG23 ' A' ' 36' ' ' THR . 2.6 pt? 179.43 -159.39 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 123.181 0.592 . . . . 73.420000000000002 109.539 170.061 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -46.67 -56.07 6.72 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.593 0.558 . . . . 63.100000000000001 110.919 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.695 HG21 ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -145.3 -81.65 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.211 0.529 . . . . 74.420000000000002 110.649 -179.282 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' H ' ' HB ' ' A' ' 40' ' ' THR . 29.7 tt0 -155.4 96.99 1.85 Allowed 'General case' 0 N--CA 1.421 -1.921 0 N-CA-C 107.753 -1.202 . . . . 73.030000000000001 107.753 -177.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.461 ' H ' HD21 ' A' ' 38' ' ' LEU . 52.3 tp -38.35 127.03 1.4 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.735 -1.121 . . . . 62.240000000000002 112.729 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.1 m170 69.17 26.32 5.52 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.153 -0.931 . . . . 72.109999999999999 112.376 174.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.454 HD23 ' HB2' ' A' ' 29' ' ' GLU . 48.4 tp -77.66 158.73 29.59 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.493 -0.558 . . . . 73.120000000000005 109.493 175.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.0 m -72.08 101.63 2.8 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.252 0.548 . . . . 51.229999999999997 109.983 177.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.544 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -118.18 156.14 29.26 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.794 -0.639 . . . . 73.409999999999997 110.301 -175.705 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -122.47 142.42 50.59 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.735 -0.666 . . . . 63.329999999999998 110.324 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -83.12 103.55 12.63 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.803 -0.635 . . . . 75.420000000000002 110.019 175.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.77 78.31 1.92 Allowed Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.821 -0.627 . . . . 73.150000000000006 111.876 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.563 ' CE2' HG23 ' A' ' 67' ' ' VAL . 7.0 m-85 -69.5 140.89 54.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.581 0.229 . . . . 63.539999999999999 110.403 178.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.574 ' HB3' HD12 ' A' ' 58' ' ' ILE . 5.0 m -155.28 158.73 39.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.845 0.355 . . . . 62.539999999999999 110.81 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.597 ' CG ' HD21 ' A' ' 78' ' ' LEU . 42.8 t80 -116.53 126.61 53.58 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.721 -0.474 . . . . 71.519999999999996 109.721 174.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.72 ' CE2' ' HD2' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -92.37 142.82 27.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.168 -0.924 . . . . 74.129999999999995 111.957 -176.35 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.524 ' HB3' HG23 ' A' ' 59' ' ' VAL . 12.4 tpt180 -147.87 107.18 3.9 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.949 -1.023 . . . . 74.340000000000003 109.553 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.572 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 5.0 m-70 59.32 27.03 16.0 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 111.905 0.335 . . . . 73.150000000000006 111.905 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.8 -1.6 85.38 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.228 -0.987 . . . . 73.530000000000001 112.418 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -105.23 174.0 6.06 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.353 -0.61 . . . . 74.439999999999998 109.353 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.574 HD12 ' HB3' ' A' ' 51' ' ' SER . 14.2 mm -109.11 125.63 66.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 116.071 -0.513 . . . . 63.039999999999999 110.393 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.632 HG11 HD13 ' A' ' 89' ' ' LEU . 75.2 t -101.38 -45.06 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.957 -0.565 . . . . 74.099999999999994 110.009 175.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.67 140.74 48.91 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.098 -0.501 . . . . 74.340000000000003 110.478 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.488 ' HD1' ' HG ' ' A' ' 51' ' ' SER . 72.9 t80 -144.68 135.5 24.81 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.596 -0.52 . . . . 73.219999999999999 109.596 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.419 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -156.6 97.33 0.16 Allowed Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 111.497 -0.641 . . . . 62.43 111.497 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -97.65 124.7 42.04 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.565 0.221 . . . . 62.32 110.695 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.0 t -148.73 162.72 39.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.25 -0.432 . . . . 60.409999999999997 110.077 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -73.33 -14.95 61.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.011 0.434 . . . . 43.130000000000003 110.212 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' A' ' 66' ' ' LYS . 22.9 ttmm -114.37 129.61 56.65 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.044 -0.525 . . . . 63.439999999999998 110.481 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.563 HG23 ' CE2' ' A' ' 50' ' ' PHE . 4.2 p -55.41 -46.99 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 115.882 -0.599 . . . . 72.349999999999994 111.233 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.73 97.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 75.010000000000005 111.868 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 72' ' ' TYR . 65.9 t30 -70.51 -48.91 53.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.959 0.409 . . . . 62.5 110.281 -178.157 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.548 ' HA ' HD12 ' A' ' 73' ' ' ILE . . . -54.28 -46.76 72.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.438 -0.801 . . . . 73.150000000000006 110.81 177.178 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.55 ' HG2' ' HE2' ' A' ' 75' ' ' LYS . 15.2 ttpt -63.64 -40.65 97.41 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.475 -1.238 . . . . 72.040000000000006 110.292 -179.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.474 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 34.8 t80 -55.6 -48.81 74.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.712 -0.676 . . . . 72.129999999999995 110.393 175.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.563 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 54.0 mt -56.38 -56.08 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.383 -0.826 . . . . 71.409999999999997 111.567 -177.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.9 ptt? -60.96 -39.96 91.51 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.624 -0.262 . . . . 65.299999999999997 110.936 -178.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.566 ' O ' HG13 ' A' ' 5' ' ' ILE . 49.6 mttm -60.56 -45.9 92.22 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.865 0.364 . . . . 73.219999999999999 110.705 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 15.4 mm100 -60.99 -24.18 65.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.061 -0.518 . . . . 74.129999999999995 111.006 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 10.1 mmt180 -66.46 -64.66 0.81 Allowed 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.279 -0.419 . . . . 70.430000000000007 111.037 -178.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.655 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -62.12 -34.09 75.69 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 119.891 -0.724 . . . . 55.219999999999999 110.084 179.209 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.594 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 10.2 tp -52.74 -58.89 5.38 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.156 0.503 . . . . 73.409999999999997 110.677 177.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -58.98 -28.98 66.85 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.636 -0.711 . . . . 74.319999999999993 110.336 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 91.8 mt -70.94 -39.74 72.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.479 -0.328 . . . . 74.25 110.938 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 79' ' ' LEU . 1.3 pp -81.13 -21.98 39.41 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.698 0.285 . . . . 75.439999999999998 111.142 178.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -79.55 -38.02 35.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.152 0.501 . . . . 51.340000000000003 110.739 173.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -88.32 -18.64 28.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.851 -0.613 . . . . 72.409999999999997 110.197 -176.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.407 ' HA ' ' CD1' ' A' ' 90' ' ' LEU . 3.1 mmmp? 65.03 37.53 6.73 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.359 -0.837 . . . . 75.120000000000005 110.276 -177.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.8 m -76.45 146.19 38.75 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.242 -0.89 . . . . 64.120000000000005 110.131 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.454 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 3.3 p-10 -75.62 -1.56 25.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.007 0.373 . . . . 54.43 112.007 -173.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -65.62 -38.86 90.61 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.706 0.262 . . . . 60.310000000000002 111.706 -175.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.655 HD22 ' HB3' ' A' ' 78' ' ' LEU . 9.7 tp -110.13 -17.62 13.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.47 0.652 . . . . 60.32 110.678 178.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.409 HD11 ' HA ' ' A' ' 82' ' ' LEU . 13.9 mt -108.92 15.52 23.38 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 112.711 0.634 . . . . 72.219999999999999 112.711 -170.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.454 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 31.9 p90 -67.54 156.83 35.77 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.937 0.398 . . . . 73.109999999999999 110.618 178.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.6 m -83.92 139.05 32.85 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.019 -0.537 . . . . 71.25 110.101 177.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.9 p -132.84 177.23 7.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.036 -0.529 . . . . 64.230000000000004 109.771 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 97' ' ' PHE . 63.4 t30 -109.83 68.95 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.927 0.343 . . . . 71.219999999999999 111.927 -178.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 68.3 m -98.15 -2.55 39.66 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 119.904 -0.719 . . . . 75.310000000000002 111.095 167.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.583 ' HD3' ' HA3' ' A' ' 17' ' ' GLY . 21.8 ptmt -153.53 -46.09 0.09 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.285 0.564 . . . . 62.119999999999997 110.149 177.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.429 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 30.2 p90 -152.0 -176.67 5.75 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.163 -1.421 . . . . 75.519999999999996 107.163 173.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.8 p -179.62 169.76 1.33 Allowed 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 121.181 0.515 . . . . 53.109999999999999 111.049 172.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.446 ' HB2' ' HE3' ' A' ' 99' ' ' LYS . 20.9 mtmt -98.45 81.64 2.76 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.948 -1.024 . . . . 63.350000000000001 109.53 -178.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -90.66 -45.34 8.94 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.066 -0.97 . . . . 64.510000000000005 110.109 -175.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.507 ' HA ' ' HD2' ' A' ' 101' ' ' LYS . 35.4 tptt . . . . . 0 N--CA 1.439 -1.003 0 CA-C-O 118.426 -0.797 . . . . 62.340000000000003 110.139 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ttt . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.779 0.323 . . . . 72.230000000000004 110.84 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.648 ' HE3' HD11 ' A' ' 79' ' ' LEU . 16.4 tppt? -83.33 -41.13 18.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 74.150000000000006 110.308 -177.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 127.64 -153.76 19.38 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.595 -0.812 . . . . 70.129999999999995 112.095 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -87.99 113.39 23.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.903 0.383 . . . . 73.319999999999993 110.726 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.713 HD11 HD21 ' A' ' 82' ' ' LEU . 6.7 tp -67.52 -26.18 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.946 -0.57 . . . . 71.430000000000007 109.685 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.63 -40.55 95.25 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.277 -0.874 . . . . 75.409999999999997 109.525 -178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.68 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 28.1 m80 -60.86 -49.9 75.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.944 -0.571 . . . . 73.109999999999999 110.185 174.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -58.57 -50.6 73.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 53.310000000000002 111.233 -175.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.587 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 7.2 p -63.1 -39.48 85.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.131 -0.486 . . . . 72.519999999999996 111.575 -176.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.412 ' CD1' HG13 ' A' ' 9' ' ' VAL . 12.5 m-30 -69.33 -32.76 72.07 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.408 -0.517 . . . . 71.5 109.756 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.68 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 26.6 mm-40 -57.75 -49.34 76.89 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.957 -0.565 . . . . 52.229999999999997 111.942 -175.033 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -89.22 -43.18 11.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.267 -0.424 . . . . 71.340000000000003 111.8 -175.808 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.497 ' H ' HD12 ' A' ' 12' ' ' LEU . 17.4 mt -60.27 -45.4 93.43 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.604 0.594 . . . . 75.530000000000001 112.604 -176.379 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.581 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 17.3 pttp -69.33 -24.47 63.92 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.663 -0.415 . . . . 73.530000000000001 110.19 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -75.47 -34.4 60.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.749 -0.66 . . . . 60.229999999999997 110.139 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 12.1 mt-30 -72.38 -9.73 58.89 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.481 -0.781 . . . . 74.319999999999993 110.511 177.416 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.504 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 95.95 27.7 10.04 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.658 -0.782 . . . . 72.239999999999995 111.951 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.581 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 5.8 t -107.88 140.33 41.16 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.573 -0.451 . . . . 75.409999999999997 110.127 174.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -126.47 -4.7 6.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.889 0.376 . . . . 70.319999999999993 111.118 173.462 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.425 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 18.8 t70 -97.79 85.85 3.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.131 0.491 . . . . 54.140000000000001 111.014 -174.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -169.22 172.98 6.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.352 -0.84 . . . . 71.540000000000006 110.344 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.31 164.4 14.58 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.026 -0.607 . . . . 73.510000000000005 112.004 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.6 p -94.89 136.82 34.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.888 0.344 . . . . 75.329999999999998 111.215 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.522 ' HE2' ' HB3' ' A' ' 51' ' ' SER . 0.0 OUTLIER -112.03 145.94 38.8 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 109.081 -0.711 . . . . 72.349999999999994 109.081 175.325 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.9 p -141.82 69.21 1.32 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.496 0.665 . . . . 73.209999999999994 109.965 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -89.44 125.53 42.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.476 -0.784 . . . . 72.349999999999994 109.974 -178.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.4 mt -68.64 125.34 26.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.277 0.561 . . . . 72.0 110.345 176.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -114.1 104.37 12.06 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.409 -0.814 . . . . 75.040000000000006 109.146 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.519 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -82.8 115.96 21.93 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.211 -0.904 . . . . 72.430000000000007 110.533 -176.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.2 t -82.84 125.88 40.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 N-CA-C 108.911 -0.774 . . . . 71.25 108.911 177.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -61.32 104.91 0.44 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.146 0.498 . . . . 64.209999999999994 109.998 -174.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.7 t -80.94 141.7 34.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.336 -0.847 . . . . 71.209999999999994 110.683 -174.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.3 t -63.5 -31.76 73.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.785 -0.643 . . . . 65.430000000000007 109.959 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -85.96 106.75 17.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.692 -0.685 . . . . 74.239999999999995 109.561 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.712 ' HE3' ' HG3' ' A' ' 41' ' ' GLU . 21.6 ptmt -146.8 155.61 42.49 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.896 0.379 . . . . 72.099999999999994 111.039 -177.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.557 HG23 HD22 ' A' ' 38' ' ' LEU . 6.5 t -102.02 175.2 5.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.983 -0.553 . . . . 72.0 109.536 175.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.782 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.5 pt? -95.51 107.92 20.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.387 0.613 . . . . 74.109999999999999 111.902 -173.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.783 HD11 ' HB2' ' A' ' 42' ' ' LEU . 1.8 pt? -168.16 -166.47 0.71 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.257 -0.883 . . . . 63.25 108.78 172.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -50.42 -71.11 0.07 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.402 0.62 . . . . 73.230000000000004 111.281 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.9 p -104.3 -160.11 0.75 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.531 -0.759 . . . . 75.540000000000006 109.637 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.712 ' HG3' ' HE3' ' A' ' 35' ' ' LYS . 4.8 mp0 -97.11 94.75 7.32 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 108.314 -0.995 . . . . 75.230000000000004 108.314 170.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.783 ' HB2' HD11 ' A' ' 38' ' ' LEU . 2.1 tm? -45.97 -49.65 15.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.366 -0.834 . . . . 74.329999999999998 110.67 -177.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -128.02 120.88 28.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.775 -0.648 . . . . 44.520000000000003 109.961 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.502 HD13 ' HB2' ' A' ' 41' ' ' GLU . 2.4 pt? -153.03 -176.96 6.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.001 0.429 . . . . 70.230000000000004 110.768 -178.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.3 m -79.39 108.57 13.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.646 -0.706 . . . . 72.129999999999995 110.294 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -116.9 153.97 31.62 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.246 -0.434 . . . . 52.350000000000001 110.374 -177.594 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -126.9 142.78 51.46 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.949 -0.569 . . . . 70.129999999999995 110.627 -178.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.431 ' CE2' ' HB ' ' A' ' 67' ' ' VAL . 4.1 m-30 -83.56 104.17 13.47 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.967 -0.753 . . . . 73.319999999999993 108.967 173.353 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.35 76.81 1.78 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.743 -0.741 . . . . 63.210000000000001 111.876 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.604 ' CE2' HG23 ' A' ' 67' ' ' VAL . 4.4 m-85 -78.43 136.57 37.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.878 0.37 . . . . 65.310000000000002 110.337 177.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.586 ' OG ' HD12 ' A' ' 58' ' ' ILE . 31.8 t -164.02 153.87 14.6 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.141 -0.481 . . . . 63.299999999999997 110.111 -178.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.635 ' CG ' HD21 ' A' ' 78' ' ' LEU . 49.4 t80 -111.12 125.83 54.2 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.587 -0.278 . . . . 62.450000000000003 110.425 176.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.426 ' CZ ' HD11 ' A' ' 58' ' ' ILE . 9.2 m-85 -103.54 136.19 43.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.175 -0.921 . . . . 72.400000000000006 111.288 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -139.53 116.46 10.96 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.707 -0.849 . . . . 75.0 108.707 167.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.425 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 14.0 m-70 60.82 26.96 16.78 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.864 0.364 . . . . 50.020000000000003 111.498 -178.182 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.97 2.66 90.62 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.506 -0.855 . . . . 73.349999999999994 112.566 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -93.88 166.03 12.38 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 109.667 -0.494 . . . . 71.430000000000007 109.667 176.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.586 HD12 ' OG ' ' A' ' 51' ' ' SER . 32.2 mm -109.46 108.53 25.58 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-N 115.467 -0.788 . . . . 71.219999999999999 110.263 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.721 HG11 HD13 ' A' ' 89' ' ' LEU . 88.5 t -88.92 -35.1 7.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 CA-C-N 114.919 -1.037 . . . . 74.439999999999998 109.704 178.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -138.01 145.2 41.57 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.892 -0.595 . . . . 62.329999999999998 110.745 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -149.16 128.09 12.64 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.9 -0.407 . . . . 74.409999999999997 109.9 175.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.481 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -148.56 105.99 0.32 Allowed Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.79 -0.641 . . . . 70.549999999999997 111.601 179.139 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -106.56 123.91 48.81 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.171 0.51 . . . . 63.109999999999999 110.955 -177.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.3 m -151.32 166.21 31.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.056 -0.52 . . . . 71.25 110.296 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -35.62 73.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.454 0.645 . . . . 73.439999999999998 109.571 178.184 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -100.34 131.1 46.46 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.931 -1.032 . . . . 74.209999999999994 110.055 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.604 HG23 ' CE2' ' A' ' 50' ' ' PHE . 2.5 p -56.1 -41.8 70.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.821 -0.627 . . . . 74.040000000000006 111.478 -178.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.02 86.1 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.063 0.394 . . . . 64.120000000000005 112.063 -178.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.33 -46.11 35.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.968 0.413 . . . . 73.430000000000007 110.035 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.39 -47.56 78.69 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.486 -0.779 . . . . 64.109999999999999 111.037 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.522 ' HE2' HG22 ' A' ' 67' ' ' VAL . 48.4 mtmt -58.45 -46.32 86.8 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 116.082 -0.508 . . . . 75.129999999999995 110.601 176.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.417 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 27.5 t80 -52.12 -48.17 64.96 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.372 -0.831 . . . . 74.019999999999996 111.441 -175.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.481 ' HB ' ' HA3' ' A' ' 62' ' ' GLY . 33.3 mt -59.06 -52.68 57.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.613 -0.721 . . . . 71.510000000000005 111.257 -177.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.469 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.7 ptt? -66.37 -39.64 89.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 72.540000000000006 110.967 -177.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.53 ' HA ' HG21 ' A' ' 5' ' ' ILE . 54.7 mttm -57.4 -45.07 84.92 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 120.556 0.217 . . . . 74.109999999999999 110.983 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 86.7 mm-40 -59.54 -32.16 70.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 71.510000000000005 111.314 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 77' ' ' ARG . 18.6 mmm-85 -60.63 -67.26 0.41 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.974 -0.557 . . . . 74.540000000000006 111.552 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.818 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -62.81 -35.1 78.79 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.328 -0.549 . . . . 64.010000000000005 110.452 -178.802 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.648 HD11 ' HE3' ' A' ' 2' ' ' LYS . 13.2 tp -49.8 -60.01 3.3 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.14 0.495 . . . . 72.409999999999997 110.94 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -60.29 -26.53 66.58 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.49 -0.777 . . . . 72.099999999999994 111.02 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 96.2 mt -72.39 -38.22 68.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.292 -0.413 . . . . 70.129999999999995 110.786 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.713 HD21 HD11 ' A' ' 5' ' ' ILE . 2.5 pp -85.36 -25.73 26.91 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 121.079 -0.248 . . . . 74.340000000000003 111.078 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 79' ' ' LEU . 25.3 mm-40 -67.84 -49.21 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.188 0.518 . . . . 75.530000000000001 110.219 173.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -86.75 -13.81 44.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.585 -0.734 . . . . 63.140000000000001 110.594 -176.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 85' ' ' LYS . 13.6 mmmm 64.82 48.13 2.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.417 -0.81 . . . . 74.319999999999993 110.344 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.7 m -87.43 134.43 33.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.995 -1.002 . . . . 74.010000000000005 110.142 175.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 8.9 p30 -70.28 0.71 5.9 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.853 0.686 . . . . 51.520000000000003 112.853 -171.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.486 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.4 mm? -62.47 -35.66 80.02 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.886 -0.325 . . . . 44.43 111.215 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.818 HD22 ' HB3' ' A' ' 78' ' ' LEU . 17.5 tp -107.14 -16.06 14.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.262 0.554 . . . . 71.450000000000003 110.387 175.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.42 HD11 ' HA ' ' A' ' 82' ' ' LEU . 13.8 mt -114.64 18.05 16.88 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.558 -0.747 . . . . 74.329999999999998 112.666 -168.063 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.431 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 41.0 p90 -68.55 167.14 15.57 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.308 0.575 . . . . 64.25 111.772 -176.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.4 m -91.21 132.5 36.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.54 -0.754 . . . . 64.209999999999994 110.866 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.7 p -133.66 174.74 10.11 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.545 -0.752 . . . . 61.310000000000002 109.758 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.547 ' HA ' ' O ' ' A' ' 97' ' ' PHE . 51.0 t-20 -111.61 73.01 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.071 0.232 . . . . 72.420000000000002 111.371 178.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 58.9 m -92.65 -1.19 57.07 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 119.998 -0.681 . . . . 55.119999999999997 110.572 167.133 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.44 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 21.2 ptmt -156.25 -34.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.75 -0.659 . . . . 73.140000000000001 110.114 178.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.547 ' O ' ' HA ' ' A' ' 94' ' ' ASN . 21.5 p90 -167.59 176.22 6.6 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.243 -1.021 . . . . 71.010000000000005 108.243 173.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.1 p -169.61 152.42 4.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.707 0.289 . . . . 52.409999999999997 110.774 171.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp 58.82 33.14 22.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.487 -0.779 . . . . 74.420000000000002 111.475 176.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.616 ' O ' ' HD2' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -60.4 -45.46 93.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.022 -0.536 . . . . 72.409999999999997 109.767 176.496 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.616 ' HD2' ' O ' ' A' ' 100' ' ' LYS . 2.2 mptp? . . . . . 0 C--O 1.247 0.925 0 N-CA-C 108.929 -0.767 . . . . 54.210000000000001 108.929 174.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ptp . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.725 0.297 . . . . 75.129999999999995 110.344 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -136.26 125.92 25.45 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.226 -0.443 . . . . 62.240000000000002 109.817 175.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.56 80.4 0.73 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.744 -0.741 . . . . 42.32 111.541 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.472 ' OD2' ' HB2' ' A' ' 6' ' ' GLU . 28.6 t70 -57.28 134.86 56.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.465 0.65 . . . . 63.520000000000003 111.833 -177.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.688 HG22 ' OE1' ' A' ' 6' ' ' GLU . 0.5 OUTLIER -71.0 -28.98 35.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.111 -0.949 . . . . 71.129999999999995 111.652 -173.81 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.688 ' OE1' HG22 ' A' ' 5' ' ' ILE . 1.2 mp0 -65.56 -31.2 72.12 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.456 -0.572 . . . . 73.319999999999993 109.456 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.717 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 55.2 m80 -63.34 -47.8 80.66 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.748 -0.66 . . . . 73.450000000000003 109.84 173.154 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.557 ' HG2' ' HA ' ' A' ' 5' ' ' ILE . 60.4 mmtt -59.17 -49.69 76.88 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.039 -0.528 . . . . 73.150000000000006 111.394 -176.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.418 HG11 ' CE2' ' A' ' 52' ' ' PHE . 7.8 p -63.92 -34.08 66.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.956 -0.566 . . . . 73.030000000000001 111.292 -176.01 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.488 ' CD1' ' HE1' ' A' ' 21' ' ' PHE . 13.4 m-30 -71.99 -32.1 66.9 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.928 -0.397 . . . . 75.040000000000006 109.928 177.21 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.717 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 28.7 mm-40 -59.13 -51.29 70.64 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.032 -0.531 . . . . 71.0 111.837 -174.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.526 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -90.42 -40.14 12.23 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.964 -0.562 . . . . 70.019999999999996 112.122 -173.095 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.615 HD21 ' O ' ' A' ' 89' ' ' LEU . 19.6 mt -63.6 -44.2 94.7 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.256 0.465 . . . . 62.350000000000001 112.256 -176.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 49.2 pttt -67.25 -19.98 65.6 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.715 -0.394 . . . . 74.340000000000003 110.086 179.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -76.81 -45.07 30.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 75.430000000000007 110.258 176.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -64.43 -20.02 65.89 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.477 -0.783 . . . . 73.329999999999998 110.847 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.606 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 109.56 35.47 2.25 Favored Glycine 0 N--CA 1.438 -1.182 0 C-N-CA 120.653 -0.784 . . . . 64.200000000000003 111.939 -179.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.596 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.6 t -121.62 138.35 54.36 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.739 -0.384 . . . . 64.439999999999998 110.671 174.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.401 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.1 OUTLIER -124.85 -8.98 7.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.103 0.478 . . . . 74.540000000000006 109.898 167.666 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.628 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 18.1 t0 -87.34 81.43 7.89 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.605 0.717 . . . . 74.219999999999999 111.356 -177.22 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.488 ' HE1' ' CD1' ' A' ' 10' ' ' TYR . 13.2 p90 -164.29 154.87 14.99 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.733 -1.121 . . . . 73.25 109.903 175.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.95 -176.75 45.35 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.673 -0.775 . . . . 73.239999999999995 111.962 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.2 p -107.86 151.3 25.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.805 0.302 . . . . 70.519999999999996 111.257 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.796 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 17.2 ptmt -132.94 160.96 35.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.994 0.426 . . . . 72.420000000000002 110.584 175.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.1 t -137.64 81.73 1.88 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.835 -0.621 . . . . 71.219999999999999 109.452 173.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.576 ' HB ' ' HE2' ' A' ' 24' ' ' LYS . 6.2 p -85.99 115.29 27.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.145 0.497 . . . . 73.519999999999996 110.053 -178.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.3 mt -72.41 126.73 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-O 121.335 0.588 . . . . 60.520000000000003 110.638 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.543 ' HB2' ' HE2' ' A' ' 63' ' ' LYS . 42.3 mt-10 -120.16 105.82 11.35 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.131 -0.94 . . . . 75.310000000000002 109.115 176.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.843 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -86.01 130.29 34.58 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.41 -0.814 . . . . 64.140000000000001 110.368 -177.291 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 81.4 t -86.45 101.11 10.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.102 -0.499 . . . . 64.140000000000001 109.936 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -70.51 101.57 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.261 -0.644 . . . . 71.400000000000006 109.261 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -90.83 75.09 6.5 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.977 0.417 . . . . 43.399999999999999 111.838 -173.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.0 m 55.14 23.89 5.72 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.387 -0.824 . . . . 72.409999999999997 113.154 169.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.459 ' ND1' ' HG ' ' A' ' 37' ' ' LEU . 58.4 t-80 49.58 53.3 12.96 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.453 0.644 . . . . 60.299999999999997 109.499 -174.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -62.5 -37.47 86.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.598 -0.728 . . . . 65.340000000000003 111.688 -176.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.1 t -104.52 112.57 25.69 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.373 0.606 . . . . 73.450000000000003 110.618 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.459 ' HG ' ' ND1' ' A' ' 34' ' ' HIS . 5.4 mp -98.68 108.71 21.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.628 -0.714 . . . . 65.549999999999997 109.266 177.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.529 ' HG ' ' H ' ' A' ' 39' ' ' ASN . 1.3 pt? -135.72 -66.46 0.56 Allowed 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.819 -0.352 . . . . 43.25 111.442 -177.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.529 ' H ' ' HG ' ' A' ' 38' ' ' LEU . 38.3 t30 -173.82 -73.08 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.453 -0.943 . . . . 64.049999999999997 108.453 -178.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.7 p -105.32 151.92 23.57 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.178 -1.045 . . . . 61.43 108.178 168.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -57.94 94.33 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.898 -0.408 . . . . 73.239999999999995 109.898 175.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.498 ' HB2' HD11 ' A' ' 38' ' ' LEU . 1.6 tt -33.73 -75.75 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 O-C-N 124.423 1.077 . . . . 73.010000000000005 111.323 -178.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -147.99 97.67 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.821 -0.807 . . . . 62.240000000000002 108.821 172.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.4 tp -72.92 142.17 47.87 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.425 -0.352 . . . . 54.140000000000001 110.148 -177.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 m -67.69 98.69 0.72 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.247 0.546 . . . . 61.409999999999997 110.234 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.843 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.18 154.27 19.96 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.779 -0.646 . . . . 71.510000000000005 110.177 -177.072 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -127.31 143.18 51.28 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.148 0.499 . . . . 74.049999999999997 110.623 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 17.9 m-30 -77.08 106.88 9.06 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.268 -0.878 . . . . 75.349999999999994 110.173 178.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.4 72.31 2.83 Favored Glycine 0 N--CA 1.441 -0.984 0 C-N-CA 120.627 -0.796 . . . . 62.130000000000003 111.187 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.532 ' HE2' HG23 ' A' ' 67' ' ' VAL . 3.5 m-85 -64.29 134.98 55.76 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.607 -0.516 . . . . 75.519999999999996 109.607 177.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.552 ' HB3' HD12 ' A' ' 58' ' ' ILE . 6.2 m -152.01 161.54 42.48 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 120.777 0.322 . . . . 60.439999999999998 110.231 -178.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.55 ' CG ' HD21 ' A' ' 78' ' ' LEU . 34.0 t80 -117.22 127.37 54.03 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.273 -0.421 . . . . 74.140000000000001 110.023 175.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.796 ' CE2' ' HD2' ' A' ' 24' ' ' LYS . 0.8 OUTLIER -94.1 140.99 29.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.839 -1.073 . . . . 73.310000000000002 112.037 -176.663 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.47 ' HB3' HG23 ' A' ' 59' ' ' VAL . 16.4 tpt180 -146.16 106.21 4.01 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.982 -1.008 . . . . 61.049999999999997 109.295 177.14 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.628 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 7.9 m-70 59.41 28.51 17.89 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 111.973 0.36 . . . . 64.040000000000006 111.973 -178.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.58 1.34 85.67 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.414 -0.898 . . . . 54.020000000000003 112.464 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -102.72 172.78 6.65 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.416 -0.587 . . . . 62.509999999999998 109.416 176.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' A' ' 51' ' ' SER . 13.0 mm -112.65 113.57 44.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-N 116.001 -0.545 . . . . 71.430000000000007 110.292 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.654 HG11 HD13 ' A' ' 89' ' ' LEU . 78.7 t -91.45 -37.11 8.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.752 -0.658 . . . . 74.239999999999995 110.397 178.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -127.34 144.92 50.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.141 -0.481 . . . . 74.540000000000006 110.729 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.576 ' OH ' ' HE3' ' A' ' 63' ' ' LYS . 68.2 t80 -146.5 135.51 22.52 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.429 0.456 . . . . 71.299999999999997 110.165 177.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.416 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -156.3 107.74 0.34 Allowed Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.641 -0.583 . . . . 72.439999999999998 111.641 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.576 ' HE3' ' OH ' ' A' ' 61' ' ' TYR . 36.8 ttmt -101.05 126.17 47.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.844 0.354 . . . . 73.340000000000003 111.027 -178.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.498 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 62.2 m -156.03 161.15 40.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.937 -0.574 . . . . 53.219999999999999 110.04 176.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -87.36 -13.28 43.91 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.804 -0.813 . . . . 70.310000000000002 108.804 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.426 ' HB2' ' CB ' ' A' ' 69' ' ' ASN . 33.7 mmtp -92.01 116.96 29.37 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.91 -1.041 . . . . 72.310000000000002 108.43 171.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.631 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 14.9 p -57.09 -39.72 68.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.75 0.309 . . . . 60.219999999999999 110.579 -178.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.15 -39.0 75.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.473 -0.331 . . . . 64.530000000000001 111.199 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' CB ' ' HB2' ' A' ' 66' ' ' LYS . 6.2 t30 -68.3 -43.21 78.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.979 0.419 . . . . 71.140000000000001 109.917 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -59.99 -50.09 75.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.604 -0.725 . . . . 63.130000000000003 111.265 178.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.631 ' HG3' ' O ' ' A' ' 67' ' ' VAL . 46.5 mtmt -59.54 -40.58 87.7 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.118 -0.492 . . . . 62.350000000000001 110.163 177.175 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -55.94 -49.39 73.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.367 -0.833 . . . . 74.450000000000003 110.679 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.447 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 41.7 mt -58.0 -53.73 41.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.652 -0.703 . . . . 73.099999999999994 111.407 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.469 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 3.0 ptt? -63.53 -39.22 93.84 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.836 -0.346 . . . . 53.240000000000002 110.743 -177.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.576 ' HA ' HG21 ' A' ' 5' ' ' ILE . 59.6 mttm -60.37 -44.31 95.74 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.527 0.203 . . . . 72.530000000000001 110.845 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -64.73 -21.66 66.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.513 -0.312 . . . . 73.120000000000005 111.328 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 37.6 mmt180 -64.84 -63.86 1.01 Allowed 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.685 -0.234 . . . . 75.200000000000003 110.547 177.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.853 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -63.59 -33.62 76.02 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 120.365 -0.534 . . . . 72.019999999999996 110.234 178.863 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -50.57 -53.4 30.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.779 -0.646 . . . . 72.040000000000006 110.235 178.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -66.56 -27.99 68.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.456 -0.338 . . . . 61.130000000000003 111.237 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 91.3 mt -72.29 -41.05 67.08 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 121.193 -0.203 . . . . 71.140000000000001 111.113 -178.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.601 HD21 HD11 ' A' ' 5' ' ' ILE . 1.8 pp -79.11 -18.52 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.067 0.46 . . . . 61.109999999999999 110.994 178.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -79.75 -50.07 11.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.074 -0.512 . . . . 73.420000000000002 110.556 174.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -85.27 -13.07 50.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.604 -0.726 . . . . 73.310000000000002 110.434 -174.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.4 ' HA ' ' CD1' ' A' ' 90' ' ' LEU . 48.6 mmtm 67.61 40.21 2.59 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.359 -0.837 . . . . 70.439999999999998 111.442 177.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.9 m -81.0 140.42 35.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.544 -0.753 . . . . 42.109999999999999 109.777 177.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -68.33 -9.96 51.52 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.339 0.496 . . . . 75.019999999999996 112.339 -172.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.504 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -56.13 -38.18 70.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 111.977 0.362 . . . . 64.450000000000003 111.977 -175.246 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.853 HD22 ' HB3' ' A' ' 78' ' ' LEU . 27.2 tp -110.89 -13.12 14.18 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.435 0.636 . . . . 73.150000000000006 110.825 177.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 85' ' ' LYS . 16.6 mt -112.84 13.18 19.64 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 113.008 0.744 . . . . 71.049999999999997 113.008 -169.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -67.72 158.47 32.24 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.061 0.458 . . . . 74.140000000000001 110.79 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.0 t -90.98 145.98 24.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.769 -0.65 . . . . 64.450000000000003 109.7 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 98' ' ' SER . 19.5 p -142.49 178.66 7.45 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.685 -0.689 . . . . 70.329999999999998 109.346 -176.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -110.9 71.91 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.464 0.174 . . . . 71.420000000000002 111.064 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.606 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 24.3 m -91.11 -12.79 34.52 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 120.325 -0.55 . . . . 71.430000000000007 110.183 169.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.5 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 21.1 ptmt -149.67 -44.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.583 -0.735 . . . . 71.430000000000007 109.776 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.5 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 22.9 p90 -156.06 170.09 22.98 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.458 -0.941 . . . . 74.409999999999997 108.458 175.235 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.479 ' HB3' ' O ' ' A' ' 93' ' ' CYS . 54.2 p -176.6 -179.38 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.451 0.469 . . . . 71.030000000000001 110.796 173.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm 55.91 71.04 0.58 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.482 -0.781 . . . . 72.299999999999997 111.095 173.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.671 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 0.6 OUTLIER -96.03 159.13 15.12 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.131 -0.692 . . . . 62.219999999999999 109.131 -178.654 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.711 -0.661 . . . . 62.509999999999998 110.195 -175.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.658 0.266 . . . . 65.510000000000005 110.74 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -74.34 80.69 1.87 Allowed 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.056 0.455 . . . . 75.209999999999994 110.484 178.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.23 172.28 27.01 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.826 -0.624 . . . . 53.32 111.973 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -97.04 139.96 32.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.443 0.64 . . . . 64.150000000000006 110.295 176.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.577 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -61.54 -30.72 48.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.847 -1.069 . . . . 74.239999999999995 111.751 -175.319 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -64.92 -41.87 95.18 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.702 -0.399 . . . . 62.439999999999998 110.252 -176.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -63.96 -34.65 78.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.141 -0.481 . . . . 75.340000000000003 109.845 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 59.2 mmtt -63.38 -50.37 70.16 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.775 -0.454 . . . . 72.349999999999994 109.775 177.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.726 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 47.5 t -55.14 -41.81 62.02 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 CA-C-N 115.833 -0.621 . . . . 71.209999999999994 110.618 179.153 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 11.0 m-30 -62.78 -52.01 64.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.157 -0.474 . . . . 73.310000000000002 109.772 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.476 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 63.8 mm-40 -49.48 -45.44 46.9 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 113.45 0.907 . . . . 61.5 113.45 -172.317 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.57 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -89.97 -43.98 10.19 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 112.111 0.411 . . . . 74.140000000000001 112.111 -175.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.57 ' H ' HD12 ' A' ' 12' ' ' LEU . 26.7 mt -65.01 -43.29 93.0 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.132 0.419 . . . . 65.340000000000003 112.132 -175.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.58 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 62.9 pttt -64.25 -23.65 67.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.276 0.56 . . . . 63.210000000000001 110.108 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -79.77 -41.8 25.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.564 -0.743 . . . . 73.340000000000003 110.808 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.402 HE21 ' HB3' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -65.2 -34.52 78.57 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.552 0.691 . . . . 72.010000000000005 109.842 179.101 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.616 ' HA2' ' HD3' ' A' ' 96' ' ' LYS . . . 126.37 39.9 0.39 Allowed Glycine 0 N--CA 1.435 -1.381 0 CA-C-N 115.084 -0.962 . . . . 71.400000000000006 112.05 -178.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.58 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.8 t -125.96 139.18 53.65 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.28 -0.568 . . . . 64.510000000000005 111.073 172.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -124.17 -6.63 7.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.512 0.672 . . . . 75.519999999999996 109.553 168.911 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.597 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 25.4 t70 -92.4 81.01 4.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.443 -0.799 . . . . 71.230000000000004 110.959 -174.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.591 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 18.3 p90 -166.65 160.03 14.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.265 -0.88 . . . . 75.310000000000002 110.65 177.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.44 167.53 32.6 Favored Glycine 0 CA--C 1.517 0.211 0 N-CA-C 111.71 -0.556 . . . . 42.140000000000001 111.71 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.5 p -94.01 151.02 19.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 117.057 0.429 . . . . 73.219999999999999 111.431 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.569 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -132.31 142.75 49.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.872 -0.604 . . . . 75.519999999999996 109.814 173.365 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.8 p -131.97 85.06 2.21 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.304 0.573 . . . . 73.430000000000007 110.28 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.439 HG12 ' NZ ' ' A' ' 24' ' ' LYS . 9.7 p -100.68 145.39 11.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.911 -0.774 . . . . 64.409999999999997 108.911 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.0 mt -83.32 127.2 39.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-O 121.326 0.584 . . . . 72.010000000000005 111.451 -177.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -118.97 101.79 8.29 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.127 -0.942 . . . . 74.329999999999998 108.822 174.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.859 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -88.99 139.22 30.67 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.049 -0.523 . . . . 74.299999999999997 111.181 -174.915 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.6 t -98.53 137.54 25.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.582 -0.735 . . . . 62.119999999999997 110.42 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.919 ' HA ' HD11 ' A' ' 44' ' ' LEU . 59.9 mmtt -76.7 80.84 3.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.915 0.388 . . . . 74.519999999999996 111.059 -175.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.9 m -80.54 -26.4 38.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.221 -0.445 . . . . 65.409999999999997 111.247 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 m -65.86 141.45 58.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.936 0.398 . . . . 70.439999999999998 111.207 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -81.61 -67.28 0.79 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.859 -0.609 . . . . 70.409999999999997 110.0 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' HE3' ' HB2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -145.24 140.9 28.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.051 -0.522 . . . . 74.120000000000005 110.828 179.248 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.2 t -177.26 145.57 0.46 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.67 -0.695 . . . . 74.219999999999999 109.194 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -125.34 106.71 10.04 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.939 -0.393 . . . . 63.43 109.939 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -162.16 -166.67 1.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.47 -0.332 . . . . 71.299999999999997 110.674 178.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -48.21 -66.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.399 -0.818 . . . . 75.140000000000001 111.898 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 p -113.39 -154.7 0.55 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.534 -0.543 . . . . 41.130000000000003 109.534 177.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -90.24 30.45 1.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.136 -0.353 . . . . 74.230000000000004 110.174 172.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.2 tp 60.95 -86.88 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.849 -0.614 . . . . 70.209999999999994 111.06 -176.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -135.66 105.32 6.12 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.727 -0.842 . . . . 65.0 108.727 176.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.919 HD11 ' HA ' ' A' ' 31' ' ' LYS . 14.3 tp -99.57 136.9 38.83 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.34 -0.391 . . . . 55.32 110.395 -176.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.3 m -68.09 105.52 2.08 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.69 -0.485 . . . . 75.409999999999997 109.69 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.859 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.62 156.04 18.32 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.047 0.451 . . . . 55.200000000000003 111.14 -172.653 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -129.04 144.78 51.3 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.933 -0.576 . . . . 65.140000000000001 110.273 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.479 ' CE2' ' HB ' ' A' ' 67' ' ' VAL . 21.2 m-30 -80.54 110.09 15.68 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.818 -0.628 . . . . 64.120000000000005 110.097 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.5 72.34 2.85 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.916 -0.659 . . . . 72.430000000000007 111.852 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.579 ' CE2' HG23 ' A' ' 67' ' ' VAL . 12.3 m-85 -69.31 134.52 49.2 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.106 -0.331 . . . . 65.299999999999997 110.106 175.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.658 ' HG ' ' HD1' ' A' ' 61' ' ' TYR . 1.9 m -154.19 161.14 42.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.785 0.326 . . . . 62.450000000000003 110.687 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.726 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 32.0 t80 -116.67 123.79 48.14 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.147 -0.479 . . . . 74.510000000000005 110.111 173.328 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.569 ' CE1' ' HG2' ' A' ' 24' ' ' LYS . 5.3 m-85 -95.86 134.71 38.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.413 -0.812 . . . . 71.540000000000006 111.765 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.591 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -135.04 108.41 7.81 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.43 -0.804 . . . . 64.439999999999998 108.974 171.445 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.597 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 13.1 m-70 62.78 30.29 16.72 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.952 0.406 . . . . 73.239999999999995 111.845 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.92 -4.74 84.71 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.534 -0.841 . . . . 51.420000000000002 112.563 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -97.55 169.81 9.46 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.42 -0.585 . . . . 75.049999999999997 109.42 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.42 HD12 ' HB3' ' A' ' 51' ' ' SER . 20.7 mm -105.73 118.57 53.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.398 0.618 . . . . 71.25 110.944 -178.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.59 HG11 HD13 ' A' ' 89' ' ' LEU . 84.7 t -94.76 -41.68 12.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.407 -0.815 . . . . 63.119999999999997 109.891 176.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.522 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -129.71 148.34 51.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.939 -0.573 . . . . 23.309999999999999 111.138 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.658 ' HD1' ' HG ' ' A' ' 51' ' ' SER . 59.7 t80 -146.29 135.07 22.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.069 -0.514 . . . . 73.409999999999997 109.771 176.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -151.46 97.87 0.18 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.572 -0.611 . . . . 24.109999999999999 111.572 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 37.9 ttpt -98.55 123.93 43.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.698 0.285 . . . . 74.430000000000007 110.655 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.522 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 57.4 m -153.47 160.15 42.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.803 0.335 . . . . 74.129999999999995 110.769 178.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.469 ' HG3' ' HG2' ' A' ' 66' ' ' LYS . 6.9 ptp180 -78.11 -20.05 52.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.271 0.558 . . . . 73.129999999999995 109.587 176.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.608 ' HE2' ' HA ' ' A' ' 66' ' ' LYS . 9.8 mmpt? -102.56 122.78 45.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.47 -0.786 . . . . 73.310000000000002 108.988 175.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.579 HG23 ' CE2' ' A' ' 50' ' ' PHE . 3.9 p -55.81 -41.17 65.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 O-C-N 123.177 0.298 . . . . 73.299999999999997 111.262 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.9 97.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.322 -0.399 . . . . 64.430000000000007 111.116 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -68.87 -43.98 74.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 63.0 110.249 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.522 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -59.07 -49.36 78.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.63 -0.714 . . . . 72.319999999999993 111.197 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.516 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 49.1 mtmt -59.28 -42.7 91.89 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 115.982 -0.554 . . . . 63.32 110.12 177.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -55.5 -46.78 76.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.446 -0.797 . . . . 52.140000000000001 110.94 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.515 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 54.7 mt -60.37 -56.41 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.455 -0.793 . . . . 74.340000000000003 111.366 -177.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.546 ' SD ' ' HB3' ' A' ' 50' ' ' PHE . 3.4 ptt? -62.51 -39.81 94.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.315 -0.402 . . . . 75.0 110.898 -176.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.577 ' HA ' HG21 ' A' ' 5' ' ' ILE . 63.7 mttm -60.83 -45.87 92.79 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.51 0.195 . . . . 71.129999999999995 111.08 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.416 ' HA ' ' HB3' ' A' ' 79' ' ' LEU . 71.4 mm-40 -63.2 -22.02 66.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.422 -0.354 . . . . 62.009999999999998 111.594 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.535 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 21.7 mmm180 -65.06 -62.24 1.67 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.264 -0.273 . . . . 65.510000000000005 110.264 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.84 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -64.96 -33.58 76.38 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.606 -0.438 . . . . 63.039999999999999 110.68 177.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.416 ' HB3' ' HA ' ' A' ' 76' ' ' GLN . 3.1 tm? -52.77 -49.74 64.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.926 -0.579 . . . . 74.319999999999993 109.867 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -32.84 74.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.92 -0.582 . . . . 74.409999999999997 110.006 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 89.7 mt -69.94 -37.56 75.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.956 -0.566 . . . . 61.439999999999998 111.343 -176.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.528 HD21 HD11 ' A' ' 5' ' ' ILE . 1.5 pp -82.12 -24.62 35.03 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.945 -0.302 . . . . 63.329999999999998 111.414 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -68.75 -45.12 72.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.482 0.658 . . . . 75.120000000000005 110.237 173.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -89.93 -17.88 27.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.251 -0.886 . . . . 73.409999999999997 110.832 -174.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.45 ' HA ' ' CD1' ' A' ' 90' ' ' LEU . 14.6 mmmm 68.71 39.49 1.98 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.316 -0.856 . . . . 73.329999999999998 110.748 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.8 m -75.83 141.33 42.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.525 -0.761 . . . . 51.200000000000003 109.816 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 7.4 p30 -69.79 -6.25 30.96 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.216 0.45 . . . . 74.230000000000004 112.216 -174.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.445 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -60.39 -34.06 73.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.941 0.401 . . . . 71.150000000000006 111.394 -174.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.84 HD22 ' HB3' ' A' ' 78' ' ' LEU . 29.1 tp -109.65 -23.77 11.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.274 0.559 . . . . 75.430000000000007 110.438 175.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' A' ' 82' ' ' LEU . 7.5 mt -111.88 21.1 16.34 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.584 -0.735 . . . . 64.349999999999994 112.485 -166.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 28.5 p90 -67.73 159.13 30.78 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.149 0.499 . . . . 74.349999999999994 111.253 -178.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.8 p -85.71 131.68 34.28 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.442 -0.799 . . . . 71.540000000000006 111.38 -176.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 18.9 p -135.55 171.83 13.88 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.992 -1.004 . . . . 74.120000000000005 109.332 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -111.27 66.37 0.63 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.899 -0.321 . . . . 74.209999999999994 111.144 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.59 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 24.4 m -82.13 -28.49 32.19 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.201 -0.6 . . . . 55.350000000000001 110.598 172.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.616 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 20.9 ptmt -136.97 -48.05 0.6 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.437 -0.347 . . . . 71.540000000000006 110.857 175.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.485 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 36.2 p90 -152.54 154.79 36.14 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.049 -0.352 . . . . 52.140000000000001 110.049 175.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.454 ' HB3' ' O ' ' A' ' 97' ' ' PHE . 97.0 p 172.27 -163.5 0.02 OUTLIER 'General case' 0 C--O 1.233 0.226 0 O-C-N 124.062 0.851 . . . . 54.539999999999999 109.961 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -99.48 163.52 12.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.153 -0.476 . . . . 74.120000000000005 109.724 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.531 ' HD3' ' H ' ' A' ' 101' ' ' LYS . 2.3 tppp? -100.34 134.38 43.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.021 0.439 . . . . 71.120000000000005 110.617 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.531 ' H ' ' HD3' ' A' ' 100' ' ' LYS . 4.8 mptp? . . . . . 0 C--O 1.249 1.043 0 CA-C-N 115.247 -0.888 . . . . 65.319999999999993 110.607 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.601 HG21 ' HA ' ' A' ' 75' ' ' LYS . 5.0 tp . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.398 0.142 . . . . 73.24 110.769 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.46 ' OE2' HG22 ' A' ' 5' ' ' ILE . 1.9 mp0 -59.52 -45.71 90.97 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 110.06 -0.348 . . . . 75.22 110.06 -176.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.595 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 27.3 m170 -61.12 -41.23 96.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.057 -0.519 . . . . 75.4 110.498 178.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.403 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 30.7 mmtt -61.59 -50.02 74.28 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 109.652 -0.499 . . . . 62.42 109.652 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.768 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 58.0 t -52.29 -48.44 44.12 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 CA-C-N 115.733 -0.667 . . . . 64.43 110.68 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.591 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 13.4 m-30 -63.1 -48.24 79.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.024 -0.534 . . . . 71.41 109.734 -178.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 14.1 mm100 -48.31 -45.81 35.52 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.917 0.71 . . . . 71.22 112.917 -173.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.513 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -92.5 -44.08 8.83 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.701 -0.4 . . . . 63.32 111.735 -177.311 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.56 HD22 ' NH2' ' A' ' 54' ' ' ARG . 16.0 mt -62.36 -46.09 90.22 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.783 0.66 . . . . 74.5 112.783 -175.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.659 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 20.3 pttp -65.31 -22.65 66.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.284 0.564 . . . . 64.0 109.839 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.58 -17.65 28.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.527 -0.761 . . . . 73.42 111.119 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 16.7 mt-30 -80.65 -9.7 59.77 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 121.551 0.691 . . . . 64.45 109.473 173.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.676 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 94.83 35.79 5.74 Favored Glycine 0 N--CA 1.435 -1.404 0 CA-C-N 115.124 -0.944 . . . . 61.21 111.315 -175.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.659 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 4.9 t -119.74 140.6 50.45 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.541 -0.464 . . . . 73.11 110.895 174.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.437 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -127.64 -6.32 5.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.114 0.483 . . . . 53.42 110.701 170.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -94.39 83.9 4.26 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.92 -0.582 . . . . 72.04 111.087 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.678 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 14.3 p90 -167.56 160.32 12.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.138 -0.937 . . . . 74.21 110.703 176.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.56 170.3 32.19 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.605 -0.598 . . . . 42.41 111.605 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.7 p -93.47 147.53 22.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.323 0.562 . . . . 72.21 111.358 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.495 ' HG3' ' HB2' ' A' ' 51' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.616 0 N-CA-C 108.876 -0.787 . . . . 74.31 108.876 173.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 . . . . . 0 N--CA 1.448 -0.528 0 CA-C-O 120.865 0.364 . . . . 70.24 110.487 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.496 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 5.6 m-30 -81.06 107.25 13.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.017 -0.538 . . . . 74.51 110.034 178.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.74 77.1 2.15 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.762 -0.535 . . . . 71.41 111.762 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.544 ' HE2' HG23 ' A' ' 67' ' ' VAL . 6.7 m-85 -73.05 132.71 43.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.84 0.352 . . . . 74.12 110.098 176.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.495 ' HB2' ' HG3' ' A' ' 24' ' ' LYS . 9.0 m -149.46 153.81 37.85 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.502 -0.317 . . . . 74.2 110.332 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.768 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 37.1 t80 -110.33 124.75 52.26 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.908 -0.405 . . . . 73.22 109.908 174.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.477 ' CE1' ' HG2' ' A' ' 24' ' ' LYS . 3.5 m-85 -99.21 138.24 36.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.279 -0.873 . . . . 72.34 111.035 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.678 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -146.31 102.44 3.6 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.401 -0.963 . . . . 71.11 108.401 176.719 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 63.76 36.04 10.85 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.095 -0.502 . . . . 71.42 111.742 -173.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.28 -3.23 67.54 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.693 -0.765 . . . . 63.41 112.868 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -93.33 169.87 10.05 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.847 -0.427 . . . . 74.41 109.847 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.4 mm -108.07 111.9 37.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 115.556 -0.747 . . . . 72.24 110.162 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.652 HG11 HD13 ' A' ' 89' ' ' LEU . 93.7 t -91.68 -37.51 9.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 114.932 -1.031 . . . . 70.05 109.927 177.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.62 142.92 47.04 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.75 -0.659 . . . . 50.05 110.763 -178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -142.47 133.17 25.39 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.645 -0.502 . . . . 73.21 109.645 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.88 95.23 0.14 Allowed Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 111.713 -0.555 . . . . 71.51 111.713 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 33.5 ttpt -97.6 125.56 42.4 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 120.952 0.406 . . . . 54.52 110.833 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.0 m -151.57 160.57 43.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.151 -0.477 . . . . 71.12 110.476 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -74.59 -26.6 60.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.563 0.697 . . . . 73.31 109.209 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -96.75 124.27 40.68 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.787 -1.097 . . . . 62.41 109.564 177.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.544 HG23 ' HE2' ' A' ' 50' ' ' PHE . 11.6 p -55.51 -40.4 58.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.856 0.36 . . . . 51.3 110.893 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.69 94.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 35.24 111.644 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.434 HD22 ' C ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -68.51 -42.69 78.19 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.638 -0.504 . . . . 70.43 109.638 -178.525 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.73 -48.9 78.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.782 -0.644 . . . . 71.31 110.915 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -60.68 -43.03 98.22 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.972 -0.558 . . . . 72.31 110.57 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -54.42 -48.42 71.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.608 -0.724 . . . . 73.35 111.531 -176.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.514 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 41.1 mt -60.47 -53.06 54.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.669 -0.696 . . . . 62.04 111.323 -176.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.3 ptt? -62.59 -39.5 93.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.391 -0.368 . . . . 65.1 110.542 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.601 ' HA ' HG21 ' A' ' 5' ' ' ILE . 54.6 mttm -56.79 -47.27 80.57 Favored 'General case' 0 C--O 1.227 -0.131 0 CA-C-O 120.749 0.309 . . . . 73.22 110.884 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.42 ' HA ' ' HB3' ' A' ' 79' ' ' LEU . 27.9 mm-40 -69.18 -15.2 63.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.14 -0.482 . . . . 74.23 111.725 -178.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 19.2 mmm-85 -69.4 -64.53 0.86 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.512 -0.181 . . . . 73.15 110.512 177.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.791 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -63.75 -30.84 71.89 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 120.789 -0.364 . . . . 74.15 110.285 178.297 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.42 ' HB3' ' HA ' ' A' ' 76' ' ' GLN . 3.0 tm? -52.79 -48.03 67.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.853 -0.612 . . . . 64.25 109.802 177.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -29.25 68.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.954 -0.566 . . . . 73.11 110.916 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' A' ' 86' ' ' SER . 80.8 mt -73.61 -39.89 64.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.479 -0.328 . . . . 74.35 111.416 -175.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.594 HD21 HD11 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -78.17 -25.96 47.43 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.709 -0.396 . . . . 73.32 111.001 178.018 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -75.74 -43.26 47.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.041 0.448 . . . . 73.14 110.939 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -88.9 -16.15 32.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.723 -0.671 . . . . 71.24 110.663 -175.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 66.13 43.72 2.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.275 -0.875 . . . . 65.32 111.176 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.514 ' HB2' HD22 ' A' ' 81' ' ' LEU . 9.3 m -81.97 128.27 33.9 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.312 -0.858 . . . . 50.54 108.934 175.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.45 -0.17 3.51 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.171 0.804 . . . . 73.44 113.171 -171.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.527 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.5 mm? -63.08 -35.04 78.92 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.857 0.36 . . . . 72.11 111.33 -176.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' A' ' 78' ' ' LEU . 18.8 tp -105.05 -25.95 12.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.307 0.575 . . . . 73.52 110.614 176.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.509 HD11 ' HA ' ' A' ' 82' ' ' LEU . 12.1 mt -106.25 13.99 28.11 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.331 0.863 . . . . 73.42 113.331 -165.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -70.55 159.78 33.68 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-O 121.289 0.566 . . . . 60.52 111.537 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.8 m -85.32 148.66 25.93 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.01 -0.996 . . . . 44.54 109.805 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 32.0 p -146.4 -176.21 5.08 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.137 -0.483 . . . . 75.44 110.797 -174.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -105.18 40.61 1.49 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 113.187 0.81 . . . . 74.24 113.187 -175.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.676 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 85.0 m . . . . . 0 N--CA 1.454 -0.251 0 C-N-CA 119.192 -1.003 . . . . 72.41 109.939 172.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.622 HG21 ' HG2' ' A' ' 75' ' ' LYS . 5.7 tp . . . . . 0 CA--C 1.519 -0.248 0 N-CA-C 109.204 -0.665 . . . . 74.53 109.204 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -63.66 -41.35 98.2 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.096 -0.956 . . . . 73.41 108.45 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.484 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 8.3 t-80 -60.21 -40.96 91.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.244 -0.889 . . . . 62.31 109.886 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.43 ' HG2' ' HA ' ' A' ' 5' ' ' ILE . 66.7 mmtt -62.68 -48.74 77.97 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.148 -0.478 . . . . 71.01 110.026 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.776 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 35.8 t -55.23 -43.94 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 115.925 -0.579 . . . . 74.12 110.362 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.439 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 12.5 m-30 -62.08 -51.36 68.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.023 -0.535 . . . . 61.44 109.812 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 12.1 mm100 -46.6 -44.95 18.6 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.218 0.822 . . . . 75.44 113.218 -172.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.424 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -92.15 -42.56 9.84 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.858 -0.337 . . . . 74.03 111.657 -176.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.519 HD12 HG12 ' A' ' 9' ' ' VAL . 20.7 mt -64.15 -45.16 89.69 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.539 0.57 . . . . 63.21 112.539 -176.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.48 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -62.99 -27.32 69.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.192 0.52 . . . . 71.13 109.687 178.637 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -82.58 -23.59 34.36 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.472 -0.785 . . . . 73.2 110.196 -175.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -81.35 -6.98 59.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.508 -0.769 . . . . 71.02 109.303 173.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.605 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 90.73 33.35 8.47 Favored Glycine 0 N--CA 1.439 -1.154 0 CA-C-N 115.333 -0.849 . . . . 74.44 111.8 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 5.0 t -110.72 139.1 46.31 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.642 -0.423 . . . . 71.01 110.165 175.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.43 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -124.2 -9.63 7.59 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.477 0.656 . . . . 71.35 109.617 168.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.426 ' OD1' ' HA ' ' A' ' 55' ' ' HIS . 10.2 t0 -85.05 80.47 9.26 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.111 -0.949 . . . . 72.22 110.822 -175.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -169.75 157.15 6.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.215 -0.902 . . . . 74.34 110.462 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.8 165.47 29.03 Favored Glycine 0 C--O 1.226 -0.389 0 C-N-CA 120.973 -0.632 . . . . 71.34 112.016 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.0 p -91.61 153.17 19.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.958 0.379 . . . . 71.25 111.036 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.525 ' HE3' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 CA-C-O 120.865 0.364 . . . . 64.11 110.255 172.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.553 ' HB3' ' HG2' ' A' ' 63' ' ' LYS . 45.5 m-85 . . . . . 0 N--CA 1.446 -0.657 0 CA-C-O 120.952 0.406 . . . . 64.33 110.684 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -85.91 109.21 18.57 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.821 -0.627 . . . . 71.23 109.662 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.41 74.74 2.45 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.755 -0.657 . . . . 73.34 111.921 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.53 ' HE2' HG23 ' A' ' 67' ' ' VAL . 2.3 m-85 -74.8 133.78 41.89 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.179 -0.304 . . . . 70.31 110.179 177.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.539 ' HB3' HD12 ' A' ' 58' ' ' ILE . 3.0 m -154.5 152.64 30.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.5 -0.318 . . . . 64.45 110.793 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.776 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 26.3 t80 -107.29 119.61 39.87 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 109.286 -0.635 . . . . 72.31 109.286 170.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.513 ' CE1' ' HG2' ' A' ' 24' ' ' LYS . 1.9 m-85 -91.1 144.91 25.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.594 -0.73 . . . . 64.12 111.447 -177.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.463 ' HB3' HG23 ' A' ' 59' ' ' VAL . 13.8 tpt180 -148.73 104.09 3.44 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.96 -1.018 . . . . 71.02 109.728 -178.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.426 ' HA ' ' OD1' ' A' ' 20' ' ' ASP . 8.2 m-70 60.16 25.0 14.32 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.8 0.333 . . . . 73.3 111.653 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.95 -12.48 69.84 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.558 -0.83 . . . . 42.43 112.226 -177.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -90.68 178.09 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.697 -0.483 . . . . 74.52 109.697 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.539 HD12 ' HB3' ' A' ' 51' ' ' SER . 20.9 mm -116.32 119.92 63.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.08 -0.509 . . . . 63.11 110.625 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.652 HG11 HD13 ' A' ' 89' ' ' LEU . 64.7 t -96.57 -39.18 8.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.683 -0.689 . . . . 73.44 110.337 176.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.516 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -130.02 140.84 50.81 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.008 -0.542 . . . . 72.31 110.566 178.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -141.65 145.49 35.03 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.405 -0.361 . . . . 73.55 110.247 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.56 99.38 0.18 Allowed Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 111.431 -0.667 . . . . 75.33 111.431 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.553 ' HG2' ' HB3' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -92.91 115.96 28.61 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.736 -0.468 . . . . 60.35 109.736 177.755 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.487 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 60.6 m -142.88 162.12 36.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.806 0.336 . . . . 61.35 110.857 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.9 mtp-105 -77.75 -21.2 52.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.148 0.499 . . . . 74.32 109.78 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.444 ' HD2' ' HA ' ' A' ' 66' ' ' LYS . 31.0 tptt -109.34 132.94 53.65 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.502 -0.772 . . . . 74.12 110.278 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.53 HG23 ' HE2' ' A' ' 50' ' ' PHE . 7.2 p -53.7 -41.46 47.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.603 -0.726 . . . . 72.33 111.764 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.59 -34.34 53.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.334 -0.394 . . . . 54.53 112.052 -173.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -68.89 -42.28 77.15 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.342 -0.614 . . . . 74.2 109.342 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.487 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -58.12 -44.49 87.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.175 -0.92 . . . . 53.24 110.682 176.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.504 ' HB3' ' CE ' ' A' ' 75' ' ' LYS . 65.2 mttm -55.27 -51.13 67.64 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 115.666 -0.697 . . . . 51.43 110.523 173.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -52.68 -46.79 67.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.103 -0.953 . . . . 73.45 111.365 -174.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.451 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 44.1 mt -61.04 -55.16 26.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.579 -0.737 . . . . 64.32 111.487 -177.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.512 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 3.8 ptt? -63.95 -41.95 97.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.41 -0.359 . . . . 65.24 110.758 -177.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.622 ' HG2' HG21 ' A' ' 5' ' ' ILE . 56.8 mttm -58.55 -45.54 88.73 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 120.626 0.25 . . . . 64.32 111.097 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -64.88 -22.54 67.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.311 -0.404 . . . . 65.32 111.605 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 16.9 mmm180 -64.32 -67.04 0.46 Allowed 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 121.24 -0.184 . . . . 73.32 110.886 177.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.568 HD22 HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -64.4 -31.05 72.1 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.237 -0.585 . . . . 62.51 110.95 179.515 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -53.51 -50.35 65.61 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.741 -0.466 . . . . 44.32 109.741 177.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -66.44 -29.89 70.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.284 -0.417 . . . . 71.2 111.04 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 94.8 mt -70.9 -37.5 72.97 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.502 0.186 . . . . 70.44 111.502 -177.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.575 HD21 HD11 ' A' ' 5' ' ' ILE . 2.0 pp -82.71 -13.14 56.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.345 . . . . 71.51 111.265 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -92.2 -42.81 9.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.109 0.481 . . . . 73.01 110.48 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -83.11 -18.14 40.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.859 -0.609 . . . . 44.21 110.004 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm 66.64 44.94 2.12 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.982 -1.008 . . . . 53.0 111.029 178.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.412 ' HB2' HD22 ' A' ' 81' ' ' LEU . 19.8 m -85.04 139.88 31.42 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.182 -0.917 . . . . 64.12 110.145 176.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -68.01 -9.06 42.74 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.315 0.487 . . . . 64.23 112.315 -174.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.509 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -57.13 -37.81 72.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.76 0.314 . . . . 31.25 111.791 -176.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.652 HD13 HG11 ' A' ' 59' ' ' VAL . 5.3 tp -108.56 -15.33 14.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.438 0.637 . . . . 64.53 110.469 177.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.5 mt -113.0 19.1 17.55 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 112.898 0.703 . . . . 74.05 112.898 -170.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -72.3 158.92 34.92 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.731 -0.388 . . . . 72.42 111.33 -177.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.5 m -82.3 141.76 32.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.74 -0.664 . . . . 52.45 110.275 177.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.8 p -142.79 174.52 10.58 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.371 -0.377 . . . . 64.51 110.841 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -108.05 73.4 0.89 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.305 -0.407 . . . . 75.23 111.642 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.605 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 73.6 m . . . . . 0 N--CA 1.454 -0.273 0 C-N-CA 119.735 -0.786 . . . . 70.35 110.617 166.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.635 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.448 -0.568 0 CA-C-O 121.125 0.488 . . . . 63.42 109.827 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.54 ' O ' ' HD1' ' A' ' 10' ' ' TYR . 1.9 mp0 -56.99 -44.97 83.27 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.567 -0.742 . . . . 74.42 110.292 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.669 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 52.9 m170 -59.33 -42.86 92.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.333 -0.394 . . . . 74.31 110.469 178.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -60.88 -48.65 80.86 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.337 -0.392 . . . . 73.24 111.021 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.651 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 48.9 t -57.81 -39.84 72.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.001 -0.545 . . . . 63.53 110.776 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.54 ' HD1' ' O ' ' A' ' 6' ' ' GLU . 28.4 m-85 -69.0 -39.84 79.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.548 -0.296 . . . . 73.41 110.957 178.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.669 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 24.9 mm-40 -52.43 -45.39 65.96 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.495 0.554 . . . . 75.31 112.495 -175.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.544 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -94.82 -42.79 8.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.452 0.538 . . . . 61.12 112.452 -175.48 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.544 ' H ' HD12 ' A' ' 12' ' ' LEU . 20.1 mt -61.99 -42.39 99.09 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.367 0.506 . . . . 63.11 112.367 -175.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 19.2 pttp -63.54 -29.06 70.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.073 0.464 . . . . 72.33 109.839 178.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.36 -21.18 39.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.747 -0.66 . . . . 75.52 111.188 -178.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -84.52 -1.87 56.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.585 0.707 . . . . 74.53 109.625 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.591 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 90.1 32.17 10.07 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-N 115.19 -0.914 . . . . 70.33 111.921 177.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 5.0 t -114.02 140.4 48.47 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.686 -0.406 . . . . 62.32 110.152 176.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.421 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -125.97 -4.39 6.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.295 0.569 . . . . 74.2 110.102 171.075 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -93.39 83.59 4.59 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.772 -0.649 . . . . 71.13 110.474 -175.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.426 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 20.0 p90 -170.34 149.0 3.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.254 -0.884 . . . . 75.41 110.417 176.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.05 -178.71 48.44 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.41 -0.676 . . . . 71.32 111.41 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -109.72 150.25 28.58 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 117.447 0.623 . . . . 62.04 111.061 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.534 ' HG2' ' HB3' ' A' ' 51' ' ' SER . 44.6 pttt . . . . . 0 C--N 1.321 -0.647 0 N-CA-C 109.011 -0.737 . . . . 74.51 109.011 171.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 . . . . . 0 N--CA 1.445 -0.687 0 N-CA-C 109.859 -0.423 . . . . 75.2 109.859 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -77.85 113.12 15.42 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.033 -0.53 . . . . 63.32 109.776 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.79 81.58 1.72 Allowed Glycine 0 N--CA 1.441 -1.013 0 CA-C-N 115.825 -0.625 . . . . 75.51 111.624 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.553 ' HE2' HG23 ' A' ' 67' ' ' VAL . 5.4 m-85 -84.4 130.65 34.76 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.667 -0.494 . . . . 74.1 109.667 174.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.605 ' OG ' HD12 ' A' ' 58' ' ' ILE . 6.4 t -158.51 149.85 20.86 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.181 -0.463 . . . . 70.11 109.932 -177.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.651 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 35.9 t80 -104.24 122.35 45.2 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 110.025 -0.361 . . . . 74.14 110.025 177.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.411 ' HE2' ' HD3' ' A' ' 24' ' ' LYS . 2.0 m-85 -93.41 138.75 31.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.051 -0.977 . . . . 70.24 110.985 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.487 ' HB3' HG23 ' A' ' 59' ' ' VAL . 13.5 tpt180 -140.19 104.11 4.74 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.192 -0.913 . . . . 71.34 109.339 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 63.13 25.18 14.79 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.247 0.342 . . . . 74.2 111.367 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.16 3.61 82.22 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.611 -0.805 . . . . 55.34 112.125 -177.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -105.51 175.6 5.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.496 -0.557 . . . . 52.42 109.496 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.605 HD12 ' OG ' ' A' ' 51' ' ' SER . 28.8 mm -112.68 120.93 63.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.128 0.49 . . . . 70.04 111.101 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.581 HG11 HD13 ' A' ' 89' ' ' LEU . 59.3 t -100.43 -40.94 8.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.319 -0.855 . . . . 73.51 110.205 176.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.516 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -128.36 142.48 51.11 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 116.178 -0.465 . . . . 75.51 110.525 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -142.73 136.53 29.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.078 -0.342 . . . . 75.25 110.078 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.448 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -150.33 100.02 0.2 Allowed Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 111.229 -0.748 . . . . 64.02 111.229 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -99.96 120.91 40.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.777 0.322 . . . . 73.14 111.167 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.8 m -153.71 156.99 38.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.159 -0.473 . . . . 70.02 110.255 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -77.87 -16.34 58.34 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.476 -0.564 . . . . 70.4 109.476 176.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -93.59 121.94 35.52 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.701 -0.681 . . . . 70.33 109.48 173.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.553 HG23 ' HE2' ' A' ' 50' ' ' PHE . 12.1 p -57.77 -36.91 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 123.463 0.477 . . . . 54.32 110.856 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.23 -26.81 56.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 61.03 111.671 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -82.0 -44.11 17.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.094 0.473 . . . . 74.31 109.739 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.56 -51.25 70.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.234 -0.894 . . . . 60.14 110.527 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.425 ' HG3' ' CE1' ' A' ' 50' ' ' PHE . 5.4 mtpp -54.76 -44.3 73.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.18 -0.918 . . . . 72.34 110.977 174.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -56.09 -48.78 75.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.88 -0.6 . . . . 73.12 111.585 -176.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.448 ' HB ' ' HA3' ' A' ' 62' ' ' GLY . 42.6 mt -59.11 -54.99 26.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.758 -0.656 . . . . 73.21 111.421 -176.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 3.0 ptt? -61.65 -38.51 87.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 75.43 110.665 -178.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.635 ' HA ' HG21 ' A' ' 5' ' ' ILE . 47.5 mttm -57.09 -51.31 69.78 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 120.612 0.244 . . . . 71.2 110.683 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -62.12 -20.16 63.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 62.34 111.926 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.585 ' HE ' ' HA ' ' A' ' 77' ' ' ARG . 1.3 mmp_? -65.86 -66.1 0.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.597 -0.274 . . . . 65.24 110.406 176.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.537 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -68.02 -28.41 67.38 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.321 -0.552 . . . . 74.01 110.746 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -52.45 -48.73 65.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 74.53 110.079 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -72.18 -27.67 62.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.998 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.9 mt -69.78 -36.77 76.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.711 -0.222 . . . . 71.21 111.293 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.572 HD21 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -85.12 -27.56 26.15 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.848 -0.341 . . . . 71.21 111.268 178.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -71.09 -41.87 70.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.04 0.448 . . . . 71.41 110.799 175.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -89.09 -13.07 39.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.045 -0.525 . . . . 65.42 110.554 -177.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 65.26 47.33 2.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.41 -0.814 . . . . 72.3 110.881 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.5 m -89.01 139.32 30.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.624 -0.717 . . . . 75.34 110.747 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -70.84 -4.37 23.82 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.41 0.522 . . . . 75.04 112.41 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.427 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -62.91 -32.07 73.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.024 0.44 . . . . 75.42 111.222 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.622 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 5.2 tp -114.25 -9.03 12.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.624 0.726 . . . . 65.1 110.18 176.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.5 mt -119.77 22.44 11.57 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.818 -0.628 . . . . 72.22 112.394 -172.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -71.65 160.48 32.58 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.01 0.433 . . . . 75.43 111.639 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.7 m -84.4 139.48 32.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.624 -0.716 . . . . 62.13 110.607 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 15.3 p -140.18 -178.28 5.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.67 -0.695 . . . . 73.44 110.197 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -116.96 69.33 0.75 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.497 -0.319 . . . . 72.33 111.231 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 67.9 m . . . . . 0 C--N 1.331 -0.202 0 O-C-N 121.739 -0.601 . . . . 64.1 110.57 168.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.793 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 121.204 0.526 . . . . 64.01 109.723 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.24 -41.27 88.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.212 -0.904 . . . . 71.23 109.688 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.687 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 1.5 m80 -58.05 -53.07 62.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.034 -0.53 . . . . 72.42 110.767 172.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.549 ' HG2' ' HA ' ' A' ' 5' ' ' ILE . 52.1 mmtt -55.61 -50.46 70.07 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 123.351 0.407 . . . . 65.4 111.175 -175.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.424 HG11 ' CE2' ' A' ' 52' ' ' PHE . 7.5 p -65.13 -36.97 79.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 73.12 111.343 -175.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.5 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 12.0 m-30 -68.09 -34.39 76.31 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.666 -0.494 . . . . 71.41 109.666 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.687 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 78.3 mm-40 -58.61 -48.66 80.25 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.777 -0.647 . . . . 74.41 112.136 -174.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.488 ' O ' ' HB3' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -90.63 -33.58 15.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.155 -0.475 . . . . 63.12 112.218 -173.809 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.502 HD21 ' O ' ' A' ' 89' ' ' LEU . 19.0 mt -66.34 -43.05 87.18 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 120.781 -0.368 . . . . 75.51 111.822 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 60.7 pttt -64.44 -26.84 68.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.047 0.451 . . . . 74.35 110.233 177.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.488 ' HB3' ' O ' ' A' ' 12' ' ' LEU . 14.5 t70 -66.85 -45.97 76.53 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.839 -0.618 . . . . 64.42 110.79 178.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -73.71 -6.64 48.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.125 -0.943 . . . . 73.24 111.449 -175.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.552 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 95.77 38.07 4.79 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.519 -0.848 . . . . 52.33 111.726 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.2 t -120.23 138.26 53.75 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.032 -0.358 . . . . 61.13 110.032 175.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.56 -8.82 6.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.094 0.474 . . . . 72.12 109.925 168.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.426 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 26.3 t70 -86.16 79.58 9.06 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 121.543 0.687 . . . . 74.22 111.241 -176.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 13.3 p90 -163.37 165.45 23.99 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.809 -1.087 . . . . 74.04 109.899 176.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.03 177.62 38.86 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.909 -0.662 . . . . 44.13 111.531 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 p -112.06 138.26 48.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.997 0.427 . . . . 72.23 111.477 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.564 ' HG2' ' HB3' ' A' ' 51' ' ' SER . 14.6 pttp . . . . . 0 N--CA 1.449 -0.491 0 N-CA-C 108.51 -0.922 . . . . 61.22 108.51 171.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 . . . . . 0 N--CA 1.446 -0.646 0 CA-C-O 120.972 0.415 . . . . 73.41 110.323 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.5 ' CE2' ' HB ' ' A' ' 67' ' ' VAL . 4.5 m-30 -82.32 104.59 12.74 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.099 -0.704 . . . . 73.23 109.099 175.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.99 76.8 1.88 Allowed Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.688 -0.687 . . . . 71.13 112.487 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.557 ' CE2' HG23 ' A' ' 67' ' ' VAL . 18.2 m-85 -80.34 136.58 36.42 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.997 -0.372 . . . . 71.53 109.997 174.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.632 ' OG ' HD12 ' A' ' 58' ' ' ILE . 23.2 t -167.7 145.39 4.49 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.846 -0.427 . . . . 60.52 109.846 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.63 ' CG ' HD21 ' A' ' 78' ' ' LEU . 41.3 t80 -100.41 121.8 42.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.768 0.318 . . . . 72.11 110.326 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -93.29 138.12 31.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.235 -0.893 . . . . 75.42 110.911 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.441 ' HB3' HG23 ' A' ' 59' ' ' VAL . 16.2 tpt180 -141.55 104.35 4.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.387 -0.824 . . . . 75.35 109.953 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.426 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 6.1 m-70 56.55 31.6 19.33 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.825 0.345 . . . . 62.04 111.4 -177.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.35 -13.16 64.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 72.14 112.656 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -89.98 173.46 8.2 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.661 -0.496 . . . . 75.12 109.661 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.632 HD12 ' OG ' ' A' ' 51' ' ' SER . 25.8 mm -115.8 114.9 47.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.763 -0.653 . . . . 52.51 110.408 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.684 HG11 HD13 ' A' ' 89' ' ' LEU . 92.5 t -94.2 -38.39 9.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.272 -0.876 . . . . 65.04 109.735 178.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.415 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -128.36 139.18 52.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.597 -0.728 . . . . 65.11 110.044 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.423 ' HD2' HG21 ' A' ' 58' ' ' ILE . 2.1 t80 -143.34 125.43 15.37 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.6 -0.518 . . . . 74.42 109.6 176.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.523 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -141.38 95.54 0.19 Allowed Glycine 0 N--CA 1.44 -1.076 0 N-CA-C 111.235 -0.746 . . . . 61.54 111.235 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -99.76 124.51 45.1 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.837 0.351 . . . . 61.15 110.606 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.2 m -155.01 159.93 40.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.22 -0.445 . . . . 62.53 110.037 177.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -74.46 -19.61 60.32 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.114 -0.698 . . . . 72.2 109.114 177.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -101.17 126.59 47.89 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.16 -0.927 . . . . 73.21 109.827 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.557 HG23 ' CE2' ' A' ' 50' ' ' PHE . 3.0 p -55.59 -47.75 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 O-C-N 123.42 0.45 . . . . 74.34 111.304 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 67' ' ' VAL . . . -63.39 -39.79 95.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.064 -0.516 . . . . 72.12 111.509 -178.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -69.39 -45.3 69.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.075 0.464 . . . . 72.51 110.271 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.523 ' HB1' ' O ' ' A' ' 62' ' ' GLY . . . -59.05 -47.07 86.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.01 0.909 . . . . 62.53 110.172 177.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.516 ' HG2' ' NZ ' ' A' ' 75' ' ' LYS . 15.9 ttpt -64.57 -37.3 87.07 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.088 -1.415 . . . . 75.51 110.439 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.53 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 5.9 t80 -57.31 -50.67 72.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.489 -0.778 . . . . 74.11 110.961 176.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.2 mt -59.29 -52.67 58.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.84 -0.618 . . . . 71.24 111.551 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.8 ptt? -60.32 -39.03 85.59 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.266 -0.425 . . . . 64.53 110.42 -178.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.793 ' HG2' ' HB ' ' A' ' 5' ' ' ILE . 35.0 mttp -55.35 -47.73 75.28 Favored 'General case' 0 CA--C 1.526 0.043 0 CA-C-O 120.629 0.252 . . . . 73.42 111.286 177.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 83.8 mm-40 -60.68 -25.43 66.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.971 -0.559 . . . . 61.33 111.38 -177.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.53 ' O ' HD22 ' A' ' 81' ' ' LEU . 23.5 mmm180 -67.43 -69.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.476 . . . . 73.54 110.874 178.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.646 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -62.57 -32.85 73.89 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.281 -0.567 . . . . 73.32 110.54 -176.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 9.5 tp -47.2 -54.58 10.38 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 123.647 0.592 . . . . 44.32 110.276 176.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -59.83 -34.3 72.9 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.326 -0.852 . . . . 74.25 111.273 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.631 HD12 ' HB2' ' A' ' 86' ' ' SER . 0.5 OUTLIER -67.06 -42.79 84.16 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.37 -0.532 . . . . 63.4 110.91 178.797 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.612 HD21 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -80.0 -23.66 41.38 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.075 -0.25 . . . . 74.13 111.318 -178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -74.09 -48.94 26.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.073 0.463 . . . . 62.34 110.885 174.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -86.68 -11.17 52.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.268 0.556 . . . . 73.43 110.003 -175.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm 60.96 50.94 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.903 -1.044 . . . . 51.21 110.436 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.631 ' HB2' HD12 ' A' ' 81' ' ' LEU . 10.5 m -96.23 143.36 27.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.251 -0.886 . . . . 64.23 110.526 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -71.87 -0.61 11.74 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.437 0.532 . . . . 63.51 112.437 -172.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.416 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.6 mm? -64.6 -33.08 75.08 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.857 0.36 . . . . 75.32 111.173 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.684 HD13 HG11 ' A' ' 59' ' ' VAL . 10.0 tp -113.34 -14.61 12.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.437 0.637 . . . . 73.41 110.563 173.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.4 mt -111.07 23.56 13.97 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 112.912 0.708 . . . . 74.04 112.912 -171.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -75.2 165.1 25.73 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.186 0.517 . . . . 73.13 111.402 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.3 m -94.0 149.99 20.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.363 -0.835 . . . . 72.11 111.108 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 18.3 p -146.9 -175.17 4.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.75 -0.659 . . . . 72.3 109.651 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -124.0 68.98 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.72 0.295 . . . . 74.11 110.789 176.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 13.2 m . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 121.416 0.627 . . . . 70.33 110.214 172.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.647 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.626 0.25 . . . . 71.22 111.594 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.65 -32.95 73.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.711 0.291 . . . . 64.3 110.233 -175.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -64.02 -39.48 94.2 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.548 -0.538 . . . . 72.21 109.548 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.483 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 55.6 mmtt -62.59 -48.68 78.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.982 -0.554 . . . . 73.42 110.046 178.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.732 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 57.4 t -54.94 -49.31 71.78 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 CA-C-N 115.803 -0.635 . . . . 75.4 111.126 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -63.12 -42.52 99.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.307 -0.406 . . . . 71.13 110.091 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -53.33 -48.09 68.77 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 113.103 0.779 . . . . 42.32 113.103 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -91.26 -38.39 12.7 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.834 -0.346 . . . . 60.12 111.885 -173.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.554 HD21 ' O ' ' A' ' 89' ' ' LEU . 20.5 mt -64.14 -44.59 91.69 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.185 0.439 . . . . 51.04 112.185 -177.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.614 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -62.57 -26.09 68.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.332 0.587 . . . . 73.33 109.872 178.761 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -77.43 -42.23 36.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.069 -0.969 . . . . 61.21 111.042 -177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -67.69 -19.59 65.19 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.034 -0.53 . . . . 74.42 110.738 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.54 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 111.12 40.7 1.24 Allowed Glycine 0 N--CA 1.438 -1.215 0 CA-C-N 115.529 -0.759 . . . . 71.15 111.892 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.614 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.2 t -126.39 135.3 51.27 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.452 -0.499 . . . . 75.31 110.591 173.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.46 4.81 9.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.285 0.564 . . . . 60.35 109.712 169.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -104.18 82.97 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.452 -0.794 . . . . 75.51 110.953 -172.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -168.53 154.44 6.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.657 -0.701 . . . . 65.41 110.164 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.37 162.52 29.93 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.799 -0.715 . . . . 55.03 112.124 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.508 HG23 ' CD2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -94.6 150.01 20.67 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.766 0.317 . . . . 41.42 111.633 -179.628 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.519 ' HE3' ' HB2' ' A' ' 51' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.377 -0.374 . . . . 72.52 110.154 172.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 . . . . . 0 N--CA 1.448 -0.541 0 CA-C-O 120.67 0.271 . . . . 74.12 110.298 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -87.78 107.51 18.69 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.781 0.324 . . . . 63.31 110.137 177.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.75 77.14 1.66 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.735 -0.745 . . . . 60.53 112.403 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.556 ' CE1' HG23 ' A' ' 67' ' ' VAL . 7.3 m-85 -72.68 136.66 45.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.733 0.302 . . . . 74.54 110.382 176.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.519 ' HB2' ' HE3' ' A' ' 24' ' ' LYS . 2.7 m -157.13 154.7 29.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.438 -0.346 . . . . 64.13 110.685 -179.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.732 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 28.5 t80 -111.69 123.1 49.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.768 -0.456 . . . . 73.33 109.768 174.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -93.53 140.7 29.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.619 -0.719 . . . . 73.44 111.987 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.514 ' HB3' HG23 ' A' ' 59' ' ' VAL . 15.1 tpt180 -144.72 105.91 4.2 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.247 -0.888 . . . . 72.02 109.669 179.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 60.85 28.68 18.43 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.792 0.33 . . . . 75.24 111.082 -177.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.4 -1.29 88.95 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.448 -0.882 . . . . 64.25 112.366 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -97.75 176.29 5.87 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.825 -0.435 . . . . 73.41 109.825 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.414 HD12 ' HB3' ' A' ' 51' ' ' SER . 23.3 mm -114.42 115.69 50.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.031 -0.531 . . . . 73.44 110.716 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.629 HG11 HD13 ' A' ' 89' ' ' LEU . 68.2 t -94.33 -38.45 9.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.375 -0.829 . . . . 72.45 109.871 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.463 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -128.89 137.11 51.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.722 -0.672 . . . . 71.25 110.141 178.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -143.71 130.15 20.0 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.914 -0.402 . . . . 71.01 109.914 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -154.68 96.78 0.16 Allowed Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.838 -0.696 . . . . 74.41 112.134 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -92.95 127.38 38.44 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 120.777 0.323 . . . . 50.22 110.311 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.409 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 27.8 t -142.81 163.21 33.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.291 -0.413 . . . . 71.33 110.329 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.479 ' HD3' ' O ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -69.36 -25.42 64.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.933 -0.576 . . . . 75.45 110.004 179.192 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -120.98 149.98 41.83 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.834 0.349 . . . . 74.43 111.064 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.556 HG23 ' CE1' ' A' ' 50' ' ' PHE . 3.3 p -61.09 -42.65 94.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.836 -0.62 . . . . 71.42 111.643 -177.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.8 -52.01 67.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 60.1 111.855 -176.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -64.82 -43.57 92.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.254 -0.43 . . . . 63.32 110.507 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.409 ' HB2' ' HB3' ' A' ' 64' ' ' SER . . . -58.41 -47.85 82.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.605 -0.725 . . . . 63.34 111.503 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.579 ' O ' ' HD3' ' A' ' 75' ' ' LYS . 54.4 mtmt -56.83 -46.67 81.52 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.116 0.484 . . . . 63.43 110.335 175.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -54.04 -48.6 70.38 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.022 -0.99 . . . . 73.12 111.179 -176.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.471 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 48.9 mt -58.37 -56.97 12.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.419 -0.81 . . . . 71.44 111.675 -177.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.441 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.6 ptt? -64.34 -38.32 90.62 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.878 -0.329 . . . . 74.04 111.074 -176.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.647 ' HA ' HG21 ' A' ' 5' ' ' ILE . 5.6 mptp? -54.02 -51.15 64.93 Favored 'General case' 0 CA--C 1.526 0.057 0 CA-C-O 120.818 0.342 . . . . 73.35 110.359 177.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -62.2 -24.47 67.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.775 -0.648 . . . . 75.31 111.912 -178.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.572 ' NE ' ' HA ' ' A' ' 77' ' ' ARG . 3.4 mmp_? -64.88 -63.74 1.04 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.561 -0.29 . . . . 75.41 111.38 -178.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.75 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -65.33 -30.74 71.62 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.303 -0.559 . . . . 75.21 110.303 178.632 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.08 -47.17 68.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.693 -0.685 . . . . 73.12 109.888 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -66.69 -33.69 76.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.105 -0.498 . . . . 63.21 111.071 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.576 ' HG ' ' HB2' ' A' ' 86' ' ' SER . 5.6 mp -67.1 -41.27 86.56 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.028 -0.533 . . . . 61.21 111.35 -177.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.603 HD21 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -81.55 -19.5 41.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.856 0.36 . . . . 63.02 111.465 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -80.47 -47.47 14.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.146 0.498 . . . . 63.31 110.911 175.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -87.29 -14.16 41.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.685 -0.688 . . . . 72.3 110.138 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 65.11 54.3 1.25 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.087 -0.96 . . . . 72.45 110.633 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.576 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 8.3 m -87.53 136.17 33.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.818 -1.083 . . . . 73.24 109.779 176.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -71.52 -2.42 16.79 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.212 0.449 . . . . 73.14 112.212 -172.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.466 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -64.29 -39.13 93.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.749 0.309 . . . . 63.31 110.732 -177.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.75 HD22 ' HB3' ' A' ' 78' ' ' LEU . 15.8 tp -105.55 -13.79 15.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.212 0.53 . . . . 64.31 111.004 175.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.6 mt -116.22 25.65 10.5 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 112.999 0.74 . . . . 74.5 112.999 -170.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -75.85 161.25 29.15 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.763 -0.375 . . . . 75.04 111.184 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.7 t -89.07 145.86 25.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.187 0.518 . . . . 54.33 110.165 178.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 16.8 p -150.62 156.82 42.12 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.83 -0.623 . . . . 31.42 109.712 -177.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -93.27 78.51 4.49 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.408 -0.517 . . . . 75.3 110.902 174.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 20.2 m . . . . . 0 C--N 1.33 -0.247 0 C-N-CA 119.946 -0.702 . . . . 51.41 109.182 163.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.632 HG13 ' O ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 111.807 0.299 . . . . 73.03 111.807 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.414 ' HA ' HG12 ' A' ' 9' ' ' VAL . 6.5 mt-10 -69.49 -29.98 67.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.037 -0.356 . . . . 63.42 110.037 -176.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -65.39 -45.07 85.49 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.939 -0.573 . . . . 73.13 109.501 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 60.1 mmtt -62.12 -49.03 77.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.514 -0.766 . . . . 51.0 111.181 -175.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' A' ' 6' ' ' GLU . 7.7 p -65.11 -40.97 90.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.869 -0.605 . . . . 61.22 111.644 -175.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -68.7 -35.83 77.68 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.402 -0.592 . . . . 73.24 109.402 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 9.0 mm-40 -51.4 -55.42 18.72 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.575 -0.739 . . . . 65.25 112.279 -175.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.456 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -85.58 -39.11 17.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.669 -0.696 . . . . 52.32 111.628 -174.451 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.436 ' H ' HD12 ' A' ' 12' ' ' LEU . 25.6 mt -62.35 -45.36 93.52 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.193 0.442 . . . . 73.33 112.193 -177.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -25.99 66.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.016 0.436 . . . . 73.15 110.132 179.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -74.15 -42.75 59.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.716 -0.675 . . . . 72.52 110.046 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 7.1 mt-30 -67.08 -13.22 61.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.47 -0.786 . . . . 63.44 110.432 177.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.527 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 94.07 30.48 8.79 Favored Glycine 0 N--CA 1.436 -1.347 0 CA-C-N 115.621 -0.718 . . . . 43.44 112.211 178.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.402 ' C ' ' HE1' ' A' ' 21' ' ' PHE . 4.8 t -100.29 142.96 31.06 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.839 -0.43 . . . . 62.45 109.839 175.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -125.02 -14.83 6.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.649 0.738 . . . . 73.44 110.118 170.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -86.21 81.45 8.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.506 -0.77 . . . . 73.42 110.742 -175.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.507 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 28.0 p90 -169.98 152.05 4.25 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.079 -0.964 . . . . 60.25 110.196 175.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.04 157.6 19.84 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.993 -0.622 . . . . 61.03 111.654 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -88.64 143.22 27.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.786 0.327 . . . . 63.33 111.422 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 N-CA-C 109.24 -0.652 . . . . 52.12 109.24 174.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 N--CA 1.447 -0.58 0 N-CA-C 109.698 -0.482 . . . . 75.1 109.698 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -88.84 113.29 24.23 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.248 -0.433 . . . . 73.24 109.947 177.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.05 81.33 1.6 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.905 -0.664 . . . . 73.41 111.974 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.574 ' HB3' ' SD ' ' A' ' 74' ' ' MET . 12.1 m-85 -83.39 134.32 34.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.933 0.397 . . . . 75.1 110.229 174.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.493 ' HB3' HD12 ' A' ' 58' ' ' ILE . 16.0 m -154.77 153.86 31.89 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.298 -0.41 . . . . 71.55 110.459 177.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.574 ' CG ' HD21 ' A' ' 78' ' ' LEU . 33.2 t80 -110.19 121.88 46.32 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.549 -0.538 . . . . 62.44 109.549 174.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -92.07 141.01 29.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.645 -0.707 . . . . 42.33 111.194 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.516 ' HB3' HG23 ' A' ' 59' ' ' VAL . 13.8 tpt180 -145.31 104.08 3.9 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.262 -0.881 . . . . 73.13 109.647 -178.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 61.67 24.37 14.49 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.734 0.302 . . . . 70.24 111.557 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.86 -2.68 80.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 62.21 111.869 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -100.1 177.16 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.657 -0.498 . . . . 63.2 109.657 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.493 HD12 ' HB3' ' A' ' 51' ' ' SER . 13.9 mm -117.02 113.23 42.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.057 -0.52 . . . . 75.34 110.196 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.694 HG11 HD13 ' A' ' 89' ' ' LEU . 77.5 t -90.65 -36.95 8.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.582 -0.735 . . . . 73.34 109.849 176.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -127.33 136.24 51.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.739 -0.664 . . . . 63.43 110.676 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -138.51 128.43 25.3 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.045 -0.525 . . . . 72.02 109.813 174.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.42 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -147.64 92.34 0.15 Allowed Glycine 0 N--CA 1.442 -0.953 0 CA-C-N 115.834 -0.621 . . . . 64.21 111.63 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HB3' ' HE2' ' A' ' 63' ' ' LYS . 36.4 ttpt -100.01 117.53 34.49 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.825 -0.435 . . . . 71.32 109.825 177.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.1 t -144.8 164.3 31.47 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.924 0.393 . . . . 64.44 110.769 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -69.69 -30.61 68.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.7 -0.682 . . . . 64.41 110.498 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -101.39 133.5 45.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.749 -0.659 . . . . 61.31 109.965 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.454 HG23 ' HE2' ' A' ' 50' ' ' PHE . 7.4 p -59.36 -45.16 93.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.921 -0.581 . . . . 51.43 111.366 -175.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.64 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . . . -69.16 -34.29 74.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.212 -0.449 . . . . 75.11 111.726 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -71.49 -44.56 64.48 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.791 -0.448 . . . . 71.32 109.791 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.544 ' HA ' HD12 ' A' ' 73' ' ' ILE . . . -54.47 -47.76 72.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.05 0.928 . . . . 63.31 110.232 174.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.64 ' HE2' ' HA ' ' A' ' 68' ' ' ALA . 30.2 ttpt -61.84 -42.72 99.38 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 113.609 -1.632 . . . . 73.01 110.226 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -55.84 -48.09 76.09 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.804 -0.635 . . . . 64.42 110.858 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.544 HD12 ' HA ' ' A' ' 70' ' ' ALA . 45.0 mt -57.32 -54.18 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.609 -0.723 . . . . 72.14 111.37 -177.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.574 ' SD ' ' HB3' ' A' ' 50' ' ' PHE . 2.7 ptt? -63.58 -39.03 93.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.428 -0.351 . . . . 73.32 110.538 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.632 ' O ' HG13 ' A' ' 5' ' ' ILE . 56.2 mttm -57.91 -47.65 82.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 121.021 -0.272 . . . . 74.45 110.918 178.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -60.32 -26.29 66.44 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.778 0.288 . . . . 73.22 111.778 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 4.0 mmp_? -62.56 -60.8 3.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.402 -0.363 . . . . 62.35 110.844 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.769 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -69.99 -33.58 72.23 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.034 -0.666 . . . . 74.12 110.166 178.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -51.74 -51.03 59.27 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.851 -0.613 . . . . 73.11 109.881 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 14.6 mmmt -65.69 -33.84 76.82 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.928 -0.578 . . . . 74.13 111.443 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.565 HD23 ' HB2' ' A' ' 89' ' ' LEU . 4.2 mp -64.41 -43.63 93.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.511 -0.313 . . . . 75.13 111.388 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.523 HD21 HD11 ' A' ' 5' ' ' ILE . 0.8 OUTLIER -77.62 -31.5 52.87 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.922 -0.311 . . . . 74.25 111.531 -179.332 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -73.4 -44.16 59.01 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.083 0.468 . . . . 73.04 111.037 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -83.57 -18.33 38.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.785 -0.643 . . . . 74.5 110.311 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm 67.67 46.3 1.34 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.123 -0.944 . . . . 62.22 110.662 -177.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.482 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 5.2 m -78.71 134.69 37.07 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 114.501 -1.227 . . . . 64.2 109.933 174.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -69.2 -3.19 12.64 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.499 0.555 . . . . 62.45 112.499 -174.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.406 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.8 mm? -64.18 -39.56 94.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.579 0.228 . . . . 73.43 111.156 -176.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.769 HD22 ' HB3' ' A' ' 78' ' ' LEU . 21.4 tp -105.42 -12.98 15.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.603 0.716 . . . . 63.43 111.08 176.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.497 HD11 ' HA ' ' A' ' 82' ' ' LEU . 14.6 mt -114.78 21.6 14.25 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.807 -0.633 . . . . 65.12 112.68 -170.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -71.96 159.01 34.96 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.862 0.363 . . . . 74.14 110.755 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.7 p -84.82 136.75 33.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.855 -0.611 . . . . 75.22 110.332 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.6 p -136.39 174.26 10.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.113 -0.494 . . . . 75.03 109.959 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -113.39 66.33 0.66 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.802 0.334 . . . . 75.41 111.241 -177.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 42.3 m . . . . . 0 C--N 1.333 -0.113 0 C-N-CA 120.357 -0.537 . . . . 53.5 110.642 170.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.708 HG22 ' HG2' ' A' ' 75' ' ' LYS . 4.7 tp . . . . . 0 CA--C 1.521 -0.148 0 N-CA-C 111.154 0.057 . . . . 53.23 111.154 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.15 -32.33 73.86 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.483 -0.562 . . . . 73.21 109.483 -178.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.665 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 22.3 t60 -66.53 -52.36 46.58 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.159 -0.682 . . . . 73.1 109.159 174.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HG2' ' H ' ' A' ' 8' ' ' LYS . 57.5 mmtt -59.57 -51.02 71.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.396 -0.82 . . . . 63.5 111.464 -174.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.489 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 11.1 p -62.36 -38.2 80.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.912 -0.585 . . . . 73.12 111.241 -175.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.571 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 14.4 m-30 -69.49 -34.12 73.86 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.518 -0.549 . . . . 71.12 109.518 177.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.665 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 17.4 mm-40 -56.69 -51.16 69.85 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.124 -0.489 . . . . 74.31 112.175 -174.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.54 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -87.35 -40.16 14.68 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.335 -0.393 . . . . 74.54 111.853 -176.002 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.54 ' H ' HD12 ' A' ' 12' ' ' LEU . 18.9 mt -61.11 -45.16 95.85 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.103 0.408 . . . . 74.24 112.103 -177.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 63.0 pttt -64.36 -30.63 71.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.032 0.444 . . . . 73.33 109.813 177.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -69.91 -41.47 74.64 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.908 -0.587 . . . . 71.22 110.74 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 9.2 mt-30 -66.65 -6.28 14.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.564 -0.744 . . . . 73.51 110.789 177.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.486 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 88.95 33.36 9.79 Favored Glycine 0 N--CA 1.439 -1.139 0 C-N-CA 120.87 -0.681 . . . . 55.45 111.404 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.4 t -107.5 133.12 52.44 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.585 -0.446 . . . . 61.31 111.15 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -133.82 68.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.185 -0.672 . . . . 64.21 109.185 165.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.618 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 15.5 t70 -159.27 76.65 0.7 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.484 -0.78 . . . . 74.23 109.326 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.546 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 22.2 p90 -171.34 147.54 2.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.401 -0.818 . . . . 72.43 110.671 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.71 167.85 39.9 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 116.097 -0.501 . . . . 65.05 111.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.5 p -98.13 135.29 40.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.934 0.367 . . . . 71.32 111.105 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 N-CA-C 109.254 -0.647 . . . . 72.15 109.254 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 109.804 -0.443 . . . . 75.11 109.804 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 15.5 m-85 -87.83 116.84 26.26 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 120.904 0.383 . . . . 70.25 110.3 176.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.53 84.64 1.32 Allowed Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.763 -0.653 . . . . 62.33 111.796 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.651 ' HE1' HG23 ' A' ' 67' ' ' VAL . 3.1 m-85 -84.13 137.54 33.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.823 0.344 . . . . 55.32 110.628 177.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.523 ' HB3' HD12 ' A' ' 58' ' ' ILE . 11.6 m -154.44 150.36 27.78 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.188 -0.46 . . . . 53.12 110.386 176.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.557 ' CG ' HD21 ' A' ' 78' ' ' LEU . 65.7 t80 -106.62 122.74 46.94 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.7 -0.481 . . . . 72.5 109.7 174.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -95.9 134.57 38.74 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.963 0.79 . . . . 74.4 110.75 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.546 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.7 OUTLIER -143.42 104.22 4.21 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.791 -0.818 . . . . 72.22 108.791 177.06 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.618 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 5.2 m-70 64.32 24.2 13.22 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.831 -0.622 . . . . 71.15 111.983 -175.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.71 -7.73 77.04 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.652 -0.785 . . . . 62.23 112.5 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -92.06 168.57 11.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.504 -0.554 . . . . 65.54 109.504 177.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.523 HD12 ' HB3' ' A' ' 51' ' ' SER . 20.3 mm -108.25 106.18 20.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.683 -0.69 . . . . 55.15 110.079 178.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.634 HG11 HD13 ' A' ' 89' ' ' LEU . 88.8 t -85.56 -37.17 11.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 CA-C-N 114.994 -1.003 . . . . 72.42 109.966 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -129.4 137.78 51.11 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 115.699 -0.682 . . . . 72.1 110.949 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.435 ' HD1' ' HG ' ' A' ' 51' ' ' SER . 61.2 t80 -138.07 130.1 28.63 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.51 -0.552 . . . . 61.12 109.51 173.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.408 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -152.61 95.6 0.16 Allowed Glycine 0 N--CA 1.44 -1.074 0 C-N-CA 120.821 -0.704 . . . . 63.34 111.768 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 31.0 ttpt -98.72 133.67 42.72 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 110.275 -0.269 . . . . 70.42 110.275 176.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.1 m -149.28 165.82 30.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.91 0.386 . . . . 73.05 111.283 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -62.64 -31.86 72.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.549 -0.751 . . . . 73.13 110.159 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -118.95 145.65 45.61 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.762 -0.654 . . . . 63.35 110.871 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.651 HG23 ' HE1' ' A' ' 50' ' ' PHE . 7.4 p -61.46 -39.32 82.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.432 -0.804 . . . . 52.54 112.22 -173.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.96 -29.44 58.28 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.932 0.345 . . . . 61.3 111.932 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -73.57 -40.12 64.15 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.967 -0.753 . . . . 64.42 108.967 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 62' ' ' GLY . . . -59.39 -43.04 92.99 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.812 -1.085 . . . . 74.13 110.416 176.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.558 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 87.6 mttt -55.48 -49.44 72.52 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 115.545 -0.752 . . . . 74.34 110.567 173.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.451 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 47.2 t80 -52.95 -50.19 64.54 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.127 -0.942 . . . . 65.44 111.107 -174.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 35.3 mt -62.2 -48.82 86.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.824 -0.626 . . . . 52.51 110.913 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.48 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 54.3 ttp -53.4 -51.22 63.26 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.634 -0.712 . . . . 74.32 110.665 175.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.708 ' HG2' HG22 ' A' ' 5' ' ' ILE . 65.3 mttm -63.53 -40.93 98.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.485 -0.78 . . . . 70.13 111.668 -176.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 28.6 mm-40 -62.64 -28.86 70.2 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.503 0.192 . . . . 71.25 111.382 178.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 74' ' ' MET . 13.3 mmm180 -57.75 -65.23 0.67 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.502 -0.317 . . . . 75.15 110.74 176.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.757 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -66.12 -33.03 74.85 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.128 -0.629 . . . . 73.11 110.51 -178.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -51.69 -49.28 62.72 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.987 -0.552 . . . . 64.11 110.776 -178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -69.69 -32.06 70.45 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.81 -0.356 . . . . 34.35 110.954 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.59 ' HG ' ' HB2' ' A' ' 86' ' ' SER . 4.9 mp -64.38 -41.52 96.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.42 -0.354 . . . . 73.43 111.665 -178.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.673 HD21 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -79.8 -22.75 42.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.685 0.279 . . . . 75.2 111.699 -178.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -82.16 -38.82 24.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.205 0.526 . . . . 65.33 110.537 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -89.15 -15.6 33.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.465 -0.789 . . . . 72.41 110.256 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp 67.26 43.25 2.08 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.295 -0.866 . . . . 73.34 110.757 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.59 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 7.8 m -78.16 131.59 37.26 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 114.852 -1.067 . . . . 71.11 110.247 178.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -63.78 -9.52 15.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.162 -0.472 . . . . 63.14 111.967 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.46 HD23 ' HB3' ' A' ' 86' ' ' SER . 2.7 mm? -58.81 -43.81 90.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.677 -0.238 . . . . 73.41 111.263 -177.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.757 HD22 ' HB3' ' A' ' 78' ' ' LEU . 27.9 tp -100.88 -24.61 14.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.413 0.625 . . . . 64.42 110.952 175.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.455 HD11 ' HA ' ' A' ' 82' ' ' LEU . 8.5 mt -107.99 25.48 11.53 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 113.03 0.752 . . . . 74.52 113.03 -167.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -73.0 160.5 32.0 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 120.148 -0.621 . . . . 75.43 110.739 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.4 t -84.23 141.07 31.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.509 -0.769 . . . . 55.42 110.132 -178.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.1 p -139.64 169.57 17.49 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.729 -0.669 . . . . 73.13 109.577 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -108.79 68.02 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.578 0.228 . . . . 72.11 111.155 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 16.7 m . . . . . 0 C--N 1.331 -0.219 0 C-N-CA 120.079 -0.648 . . . . 74.2 110.373 170.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.58 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.449 -0.482 0 CA-C-O 120.429 0.157 . . . . 75.34 111.229 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.55 ' OE1' HG22 ' A' ' 5' ' ' ILE . 1.2 mp0 -68.03 -37.61 81.57 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.106 -0.702 . . . . 52.44 109.106 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.644 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 2.6 t60 -56.34 -43.2 78.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.947 -1.024 . . . . 75.34 109.273 174.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -63.21 -51.08 67.72 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.817 -0.628 . . . . 73.23 110.843 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.744 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 57.4 t -53.97 -41.82 51.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.833 -0.621 . . . . 72.24 110.501 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.642 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 3.6 m-30 -65.73 -50.31 65.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.907 -0.588 . . . . 73.31 110.123 178.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.644 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 27.5 mm-40 -49.06 -45.0 42.28 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.282 0.845 . . . . 72.43 113.282 -173.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.507 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -94.85 -41.62 9.12 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.189 0.44 . . . . 63.32 112.189 -174.617 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.579 HD22 ' NH2' ' A' ' 54' ' ' ARG . 22.7 mt -65.5 -42.4 92.17 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.093 0.405 . . . . 72.54 112.093 -175.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.642 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 58.0 pttt -64.85 -25.41 67.89 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.893 -0.323 . . . . 71.33 110.558 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -73.22 -45.45 56.04 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.034 0.445 . . . . 71.23 110.444 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -62.86 -25.31 68.22 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.413 -0.812 . . . . 65.32 110.204 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.632 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 115.1 39.0 0.98 Allowed Glycine 0 N--CA 1.434 -1.48 0 CA-C-N 115.272 -0.876 . . . . 54.05 111.802 -178.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.553 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.7 t -125.6 135.45 52.21 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.265 -0.574 . . . . 52.34 111.171 175.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.53 -7.55 9.66 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.49 0.662 . . . . 72.33 109.54 170.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.477 ' OD1' ' HA ' ' A' ' 55' ' ' HIS . 14.1 t70 -91.32 81.91 5.46 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 115.325 -0.852 . . . . 74.35 111.329 -172.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.714 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 11.4 p90 -166.51 155.54 10.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.016 -0.993 . . . . 75.12 110.366 176.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.54 178.29 48.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.079 -0.581 . . . . 71.33 111.649 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.8 p -106.66 149.09 27.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.852 0.358 . . . . 70.14 111.088 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.4 pttt . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 121.116 0.484 . . . . 73.3 110.221 173.233 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 110.113 -0.329 . . . . 74.31 110.113 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.453 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 4.1 m-30 -84.54 108.67 17.43 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.243 -0.435 . . . . 64.43 110.441 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.05 77.42 1.98 Allowed Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.358 -0.697 . . . . 44.34 111.358 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.554 ' CE2' HG23 ' A' ' 67' ' ' VAL . 6.2 m-85 -72.11 131.98 43.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.764 0.316 . . . . 73.22 110.307 177.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.525 ' HB3' HD12 ' A' ' 58' ' ' ILE . 3.7 m -144.22 147.2 33.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.578 -0.283 . . . . 54.33 110.304 177.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.744 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 26.7 t80 -104.51 123.27 47.2 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.597 -0.519 . . . . 75.03 109.597 175.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -96.94 139.34 33.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.351 -0.84 . . . . 73.43 111.308 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.714 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -147.58 106.22 3.81 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.633 -0.877 . . . . 73.35 108.633 177.63 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.477 ' HA ' ' OD1' ' A' ' 20' ' ' ASP . 9.9 m-70 63.31 25.46 14.69 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.36 0.413 . . . . 61.12 112.053 -175.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.12 2.31 89.41 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.335 -0.936 . . . . 44.22 112.202 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -99.11 171.37 8.06 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.162 -0.681 . . . . 71.25 109.162 175.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.525 HD12 ' HB3' ' A' ' 51' ' ' SER . 22.2 mm -108.74 115.31 49.06 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.803 -0.635 . . . . 74.11 110.34 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.6 HG11 HD13 ' A' ' 89' ' ' LEU . 74.8 t -96.19 -37.35 7.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.13 -0.941 . . . . 74.44 109.979 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.453 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -130.75 146.94 52.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.954 -0.567 . . . . 63.03 110.788 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -148.03 134.88 20.09 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.099 -0.704 . . . . 74.11 109.099 177.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -157.49 103.99 0.24 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.158 -0.544 . . . . 42.45 111.759 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 35.8 ttmt -103.68 122.46 45.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.895 0.379 . . . . 70.11 110.67 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.7 m -146.79 159.74 43.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.11 -0.495 . . . . 52.44 110.48 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -74.68 -18.17 60.56 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.507 0.67 . . . . 74.44 109.901 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -110.45 127.62 55.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.554 -0.748 . . . . 75.44 109.85 176.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.554 HG23 ' CE2' ' A' ' 50' ' ' PHE . 2.7 p -53.03 -41.73 42.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 O-C-N 123.563 0.539 . . . . 74.11 111.335 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.24 -49.2 78.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 71.32 111.713 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -67.99 -39.56 83.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.771 0.32 . . . . 62.03 110.403 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.85 -47.33 86.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.535 . . . . 61.32 110.914 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.497 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 54.4 mtmt -61.76 -40.52 95.44 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 115.841 -0.618 . . . . 73.33 110.056 176.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.506 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 6.1 t80 -56.06 -49.63 73.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.274 -0.875 . . . . 75.11 110.998 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 45.2 mt -60.1 -54.65 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.71 -0.677 . . . . 55.24 111.532 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 3.1 ptt? -61.03 -39.37 89.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.434 -0.348 . . . . 75.25 110.776 -177.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.58 ' HA ' HG21 ' A' ' 5' ' ' ILE . 62.6 mttm -60.35 -45.27 94.08 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 121.18 -0.208 . . . . 54.2 111.186 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 14.4 mm100 -61.72 -25.89 67.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.726 0.298 . . . . 60.13 111.178 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.507 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 3.2 mmp_? -62.36 -61.99 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.327 -0.397 . . . . 70.55 110.685 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.779 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -66.35 -33.83 76.61 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.585 -0.446 . . . . 74.31 110.377 178.792 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -51.48 -50.76 59.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.745 -0.661 . . . . 71.53 110.181 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 11.5 mmmt -67.03 -27.62 67.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.393 -0.367 . . . . 72.22 111.232 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 87.7 mt -72.96 -39.31 66.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.67 -0.241 . . . . 63.42 111.12 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.558 HD21 HD11 ' A' ' 5' ' ' ILE . 1.7 pp -82.97 -24.11 33.09 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.879 -0.329 . . . . 74.4 111.541 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -74.66 -47.01 34.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.155 0.503 . . . . 72.13 110.35 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -82.48 -15.36 52.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.866 -0.607 . . . . 71.52 110.228 -176.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 85' ' ' LYS . 1.7 mmmp? 63.07 60.74 1.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.077 -0.965 . . . . 73.12 109.779 -176.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.8 m -103.03 143.39 32.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.876 -1.057 . . . . 72.22 110.535 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -68.64 -12.63 61.6 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.723 0.638 . . . . 73.13 112.723 -171.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.511 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -55.45 -37.61 67.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.711 0.291 . . . . 64.43 111.618 -174.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.779 HD22 ' HB3' ' A' ' 78' ' ' LEU . 24.6 tp -108.04 -27.48 10.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.429 0.633 . . . . 74.11 110.679 177.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.498 HD11 ' HA ' ' A' ' 82' ' ' LEU . 8.5 mt -104.75 18.97 21.3 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.502 -0.772 . . . . 71.54 112.7 -166.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -68.81 157.77 35.79 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 120.303 -0.559 . . . . 74.34 110.863 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 t -85.94 144.73 27.48 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.43 -0.804 . . . . 53.13 109.715 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 18.4 p -145.51 179.46 7.4 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.66 -0.7 . . . . 71.14 109.591 -176.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -113.57 73.1 0.8 Allowed 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.145 0.278 . . . . 63.12 110.546 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.632 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 58.3 m . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 121.52 0.676 . . . . 52.32 109.807 167.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.602 HD11 HD21 ' A' ' 82' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 121.257 0.551 . . . . 70.34 110.453 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.423 ' OE1' HG22 ' A' ' 5' ' ' ILE . 1.9 mp0 -63.4 -38.44 91.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.396 -0.82 . . . . 62.43 110.271 -179.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.724 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 85.5 m-70 -65.25 -42.35 93.38 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.675 -0.491 . . . . 61.12 109.675 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -61.14 -49.48 77.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.767 -0.651 . . . . 73.32 111.259 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.466 HG11 ' CE2' ' A' ' 52' ' ' PHE . 10.9 p -64.71 -34.19 68.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.029 -0.532 . . . . 74.22 111.117 -177.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.463 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 19.8 m-30 -67.6 -37.74 82.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.483 -0.562 . . . . 72.42 109.483 176.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.724 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 26.1 mm-40 -56.46 -52.51 64.42 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.491 -0.777 . . . . 74.03 112.075 -172.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.471 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -86.87 -39.28 15.97 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.022 -0.536 . . . . 74.14 111.853 -173.629 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.471 ' H ' HD12 ' A' ' 12' ' ' LEU . 17.3 mt -63.38 -42.22 98.83 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.281 0.474 . . . . 43.02 112.281 -177.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 61.8 pttt -62.92 -32.19 73.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.966 0.412 . . . . 73.1 110.028 176.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.53 -37.91 74.15 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.765 -0.652 . . . . 71.42 110.645 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -68.98 -9.14 50.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.49 -0.777 . . . . 72.05 111.111 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.538 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 93.68 38.53 5.22 Favored Glycine 0 N--CA 1.437 -1.268 0 C-N-CA 120.627 -0.796 . . . . 74.12 111.445 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 2.9 t -120.16 142.86 48.57 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.709 -0.396 . . . . 72.51 111.278 175.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.54 3.42 7.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.52 0.676 . . . . 73.32 109.198 168.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -102.98 84.41 2.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.082 -0.963 . . . . 74.14 110.584 -171.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.629 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 18.2 p90 -173.11 149.5 1.83 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.727 -0.669 . . . . 71.33 110.855 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.83 -168.22 35.84 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.605 -0.598 . . . . 73.23 111.605 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.3 p -123.02 147.38 46.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 117.117 0.458 . . . . 74.12 110.922 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.53 ' HG2' ' HB2' ' A' ' 51' ' ' SER . 39.8 pttt . . . . . 0 C--N 1.324 -0.529 0 N-CA-C 108.978 -0.749 . . . . 72.44 108.978 171.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 . . . . . 0 N--CA 1.45 -0.433 0 N-CA-C 109.965 -0.383 . . . . 74.22 109.965 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -87.83 117.09 26.44 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.296 -0.631 . . . . 72.52 109.296 173.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.01 84.72 1.36 Allowed Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 115.782 -0.645 . . . . 44.25 111.882 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.591 ' HE2' HG23 ' A' ' 67' ' ' VAL . 14.3 m-85 -88.55 127.55 35.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.975 0.416 . . . . 62.34 110.068 176.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.53 ' HB2' ' HG2' ' A' ' 24' ' ' LYS . 7.3 m -152.37 144.92 24.15 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.607 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.598 ' CG ' HD21 ' A' ' 78' ' ' LEU . 42.4 t80 -99.83 122.78 43.3 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 116.275 -0.421 . . . . 63.33 109.885 175.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -96.96 136.6 37.3 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.012 -0.995 . . . . 73.51 110.933 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.629 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.7 OUTLIER -144.99 104.94 4.03 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.331 -0.989 . . . . 64.14 108.331 176.756 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 8.5 m-70 68.26 24.32 7.5 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.414 0.446 . . . . 63.45 111.358 -173.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.43 -5.35 81.32 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.466 -0.873 . . . . 73.21 112.059 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -89.84 174.07 7.9 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.441 -0.577 . . . . 74.12 109.441 175.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.527 HD12 ' HB3' ' A' ' 51' ' ' SER . 25.8 mm -113.26 111.58 36.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.877 -0.601 . . . . 75.14 110.538 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.617 HG11 HD13 ' A' ' 89' ' ' LEU . 93.1 t -91.84 -38.63 10.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-N 115.158 -0.928 . . . . 72.32 109.852 176.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -126.78 130.86 51.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.642 -0.708 . . . . 74.31 110.373 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.603 ' HE1' ' HE2' ' A' ' 63' ' ' LYS . 2.8 t80 -134.22 131.51 38.62 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.828 -0.434 . . . . 71.33 109.828 174.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.81 102.2 0.3 Allowed Glycine 0 N--CA 1.44 -1.046 0 N-CA-C 111.147 -0.781 . . . . 72.22 111.147 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.603 ' HE2' ' HE1' ' A' ' 61' ' ' TYR . 6.9 tppt? -101.84 118.47 37.0 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.81 -0.441 . . . . 73.42 109.81 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.503 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 69.8 m -153.16 151.73 30.46 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.367 -0.378 . . . . 62.31 110.915 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -65.82 -28.63 69.13 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.101 -0.703 . . . . 73.41 109.101 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.686 ' HD2' ' HB2' ' A' ' 69' ' ' ASN . 40.1 ttmt -91.97 125.06 36.52 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.065 -0.971 . . . . 63.35 110.28 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.591 HG23 ' HE2' ' A' ' 50' ' ' PHE . 7.3 p -57.07 -45.16 84.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.988 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.17 -36.74 77.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.064 -0.516 . . . . 55.11 112.012 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.686 ' HB2' ' HD2' ' A' ' 66' ' ' LYS . 7.3 t30 -69.71 -45.54 67.99 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.104 0.478 . . . . 63.04 109.927 -178.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -57.0 -47.38 80.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.181 -0.918 . . . . 35.32 110.605 177.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.458 ' HG2' ' HE2' ' A' ' 75' ' ' LYS . 24.5 ttpt -62.41 -40.2 95.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 113.907 -1.497 . . . . 75.52 110.247 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -58.11 -49.19 77.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.612 -0.722 . . . . 71.02 110.78 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.489 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 57.0 mt -58.03 -53.97 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.522 -0.763 . . . . 74.33 111.517 -177.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.516 ' SD ' ' HB3' ' A' ' 50' ' ' PHE . 2.5 ptt? -61.36 -39.27 89.99 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.875 -0.33 . . . . 73.44 110.698 -178.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.602 ' HA ' HG21 ' A' ' 5' ' ' ILE . 47.7 mttm -57.05 -47.63 80.47 Favored 'General case' 0 N--CA 1.458 -0.058 0 CA-C-O 120.526 0.203 . . . . 75.45 110.773 177.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.416 ' HA ' ' HB3' ' A' ' 79' ' ' LEU . 85.4 mm-40 -67.47 -15.48 63.69 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.451 -0.34 . . . . 75.11 111.803 -178.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 36.0 mmt180 -67.61 -63.72 1.0 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.848 -0.427 . . . . 72.34 109.848 176.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.794 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -69.22 -31.53 70.17 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.529 -0.469 . . . . 74.11 110.331 -179.368 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.416 ' HB3' ' HA ' ' A' ' 76' ' ' GLN . 3.1 tm? -51.76 -50.48 60.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.135 0.493 . . . . 72.52 110.021 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.45 -29.82 68.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.978 -0.555 . . . . 75.25 111.215 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.562 ' HG ' ' HB2' ' A' ' 86' ' ' SER . 5.3 mp -69.42 -33.28 72.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.331 -0.395 . . . . 42.5 111.928 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.602 HD21 HD11 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -87.31 -20.89 26.16 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.764 -0.374 . . . . 72.42 111.216 178.209 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -74.76 -47.88 28.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.252 0.549 . . . . 63.14 110.16 174.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -88.5 -14.76 37.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.395 -0.821 . . . . 64.44 110.546 -177.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 66.77 37.3 4.23 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.51 -0.768 . . . . 71.41 110.887 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.562 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 3.0 m -67.49 135.93 53.82 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.214 -0.903 . . . . 72.32 110.222 178.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -69.25 -5.71 24.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.652 -0.249 . . . . 50.44 111.61 -176.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.441 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -59.92 -44.11 94.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.555 -0.293 . . . . 75.05 111.244 -177.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.794 HD22 ' HB3' ' A' ' 78' ' ' LEU . 19.4 tp -94.74 -28.54 15.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.506 0.669 . . . . 71.23 110.656 175.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.4 mt -104.57 22.76 14.43 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.274 -0.876 . . . . 72.12 113.136 -165.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -68.78 157.81 35.64 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 120.332 -0.547 . . . . 70.02 110.844 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.7 m -89.3 134.37 34.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.735 -0.666 . . . . 73.23 111.12 -176.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.8 p -128.3 -178.84 4.71 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.434 -0.803 . . . . 53.13 109.365 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -125.94 72.54 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.021 0.439 . . . . 73.54 110.681 176.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 17.3 m . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 121.038 0.447 . . . . 63.11 110.242 173.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.601 HG13 ' O ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 112.144 0.424 . . . . 72.33 112.144 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.473 ' HA ' HG12 ' A' ' 9' ' ' VAL . 38.6 mt-10 -72.72 -28.19 62.51 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 120.292 -0.563 . . . . 73.24 109.82 -174.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.727 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 32.8 m170 -64.49 -47.17 79.93 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.078 -0.712 . . . . 73.4 109.078 170.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -57.41 -50.52 72.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.597 -0.729 . . . . 54.45 111.432 -177.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.522 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 14.7 p -63.26 -32.73 57.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.004 -0.544 . . . . 74.4 111.421 -176.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.463 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 17.2 m-30 -70.49 -37.58 74.22 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 108.923 -0.769 . . . . 61.23 108.923 175.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.727 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 26.4 mm-40 -57.82 -45.93 85.44 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.619 -0.719 . . . . 64.01 111.81 -172.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.551 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -92.6 -44.48 8.58 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.314 -0.403 . . . . 74.44 111.979 -174.312 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.551 ' H ' HD12 ' A' ' 12' ' ' LEU . 21.0 mt -60.9 -43.96 97.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.22 0.452 . . . . 75.54 112.22 -175.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 59.9 pttt -63.65 -27.58 69.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.1 0.476 . . . . 60.11 110.325 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -75.94 -33.1 59.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.854 -0.612 . . . . 73.01 110.478 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 5.1 mt-30 -79.38 -0.29 32.17 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.455 -0.793 . . . . 73.14 111.183 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.547 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 90.52 36.68 6.83 Favored Glycine 0 N--CA 1.439 -1.131 0 C-N-CA 120.387 -0.911 . . . . 73.35 111.608 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.618 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 2.8 t -123.67 128.81 50.19 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 120.488 -0.485 . . . . 53.41 110.192 174.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.498 ' OE1' ' HB3' ' A' ' 95' ' ' CYS . 1.9 pm0 -121.95 3.88 9.94 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.324 0.583 . . . . 73.42 109.993 173.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.64 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 29.1 t0 -103.96 85.63 2.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.384 -0.825 . . . . 74.53 110.683 -174.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -167.41 167.35 13.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.151 -0.932 . . . . 74.51 110.441 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.5 176.0 39.06 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.155 -0.545 . . . . 74.23 112.067 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 p -114.15 139.93 48.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.967 0.383 . . . . 63.14 111.305 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' CD ' ' HE1' ' A' ' 53' ' ' PHE . 47.5 pttt . . . . . 0 C--N 1.323 -0.56 0 N-CA-C 109.898 -0.408 . . . . 71.14 109.898 173.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.487 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 4.4 m-85 . . . . . 0 N--CA 1.45 -0.441 0 CA-C-O 120.956 0.407 . . . . 54.44 110.57 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.494 ' CE2' ' HB ' ' A' ' 67' ' ' VAL . 14.6 m-30 -83.97 113.38 20.95 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.952 -0.758 . . . . 74.54 108.952 173.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.85 76.83 1.97 Allowed Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.793 -0.718 . . . . 53.53 111.68 177.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.531 ' CE2' HG23 ' A' ' 67' ' ' VAL . 5.8 m-85 -76.73 111.66 12.48 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.841 -0.429 . . . . 64.33 109.841 177.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.52 ' HB3' HD12 ' A' ' 58' ' ' ILE . 0.9 OUTLIER -131.34 141.31 49.89 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.267 -0.424 . . . . 73.11 110.978 -175.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.583 ' CG ' HD21 ' A' ' 78' ' ' LEU . 39.4 t80 -101.1 121.63 42.14 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 109.718 -0.475 . . . . 72.42 109.718 173.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.465 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 21.5 m-85 -99.55 135.54 40.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.236 -0.893 . . . . 75.3 112.026 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -134.24 117.52 16.56 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.353 -0.98 . . . . 74.05 108.353 165.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.64 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 16.1 m-70 64.1 22.26 12.84 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.844 0.354 . . . . 72.12 111.911 -177.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.64 2.25 88.85 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.441 -0.885 . . . . 34.54 112.128 -177.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.465 ' O ' ' HA ' ' A' ' 53' ' ' PHE . 26.7 m-80 -95.79 169.49 9.97 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 109.809 -0.441 . . . . 75.12 109.809 176.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.52 HD12 ' HB3' ' A' ' 51' ' ' SER . 25.9 mm -107.51 110.65 32.62 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-N 115.653 -0.703 . . . . 75.11 110.526 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.659 HG11 HD13 ' A' ' 89' ' ' LEU . 87.8 t -90.99 -35.17 6.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 CA-C-N 115.13 -0.941 . . . . 74.31 109.556 176.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -138.83 140.21 38.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.696 -0.684 . . . . 72.01 110.971 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.401 ' HE1' ' HB2' ' A' ' 63' ' ' LYS . 2.3 t80 -143.51 125.58 15.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.869 0.366 . . . . 73.32 110.053 173.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.22 104.55 0.67 Allowed Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.688 -0.687 . . . . 72.31 111.558 176.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.487 ' HG3' ' HB3' ' A' ' 47' ' ' TYR . 3.0 tppp? -96.16 118.4 32.66 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.651 0.262 . . . . 71.23 110.669 -178.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.519 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 56.5 m -156.59 152.47 27.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.548 -0.296 . . . . 72.32 110.771 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -71.41 -28.64 64.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.731 -0.841 . . . . 62.12 108.731 176.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.551 ' HD2' ' HB2' ' A' ' 69' ' ' ASN . 22.7 ttmm -89.34 123.73 33.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.783 -1.099 . . . . 73.22 109.86 178.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.531 HG23 ' CE2' ' A' ' 50' ' ' PHE . 6.1 p -56.6 -44.35 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 123.38 0.425 . . . . 55.12 110.928 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.18 -37.61 88.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 74.21 111.55 -178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.551 ' HB2' ' HD2' ' A' ' 66' ' ' LYS . 5.6 t30 -73.58 -43.68 59.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.755 -0.461 . . . . 74.43 109.755 -178.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.519 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -61.29 -49.43 77.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.523 -0.762 . . . . 44.13 111.096 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.503 ' HE2' HG22 ' A' ' 67' ' ' VAL . 54.3 mtmt -55.77 -44.91 78.12 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 115.93 -0.577 . . . . 41.34 110.275 176.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.419 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 33.3 t80 -56.01 -49.89 72.4 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.139 -0.937 . . . . 72.23 111.202 -175.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.4 mt -57.82 -55.25 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.663 -0.699 . . . . 73.22 111.751 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.493 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.7 ptt? -62.66 -38.98 92.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.531 -0.304 . . . . 74.01 110.69 -178.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.601 ' O ' HG13 ' A' ' 5' ' ' ILE . 62.6 mttm -62.67 -42.58 99.7 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.67 -0.241 . . . . 74.11 111.193 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 30.4 mm-40 -62.12 -25.88 67.98 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.606 0.241 . . . . 64.14 111.243 177.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.557 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 16.0 mmm180 -62.22 -66.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 73.41 110.701 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.855 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -66.02 -30.51 71.06 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.225 -0.59 . . . . 62.11 110.836 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -53.4 -46.12 69.58 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.259 0.552 . . . . 72.21 109.825 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.82 -26.49 59.75 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.809 -0.632 . . . . 62.44 111.128 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 92.3 mt -73.22 -34.24 65.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.574 -0.285 . . . . 75.11 111.295 -178.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.59 HD21 HD11 ' A' ' 5' ' ' ILE . 1.4 pp -83.5 -21.18 32.87 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.805 -0.358 . . . . 73.01 111.013 177.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -83.44 -37.28 23.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 71.32 110.995 176.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -91.08 -11.35 38.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.177 0.513 . . . . 74.1 110.125 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 64.19 35.61 10.06 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.216 -0.902 . . . . 75.13 111.255 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.6 m -72.29 135.99 46.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.527 -0.761 . . . . 70.53 110.493 178.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -69.57 -1.71 9.51 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.205 0.446 . . . . 74.44 112.205 -175.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.24 -38.79 92.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.598 0.237 . . . . 72.31 111.201 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.855 HD22 ' HB3' ' A' ' 78' ' ' LEU . 18.9 tp -103.98 -15.78 15.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.263 0.554 . . . . 73.24 110.492 177.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.8 mt -115.78 21.02 14.21 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.759 -0.655 . . . . 72.0 112.764 -168.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -67.37 163.97 19.6 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.26 0.552 . . . . 53.25 112.098 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.6 m -81.23 140.36 34.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.411 -0.813 . . . . 43.02 111.325 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.1 p -149.52 165.91 30.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.924 -0.58 . . . . 74.41 109.457 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -115.17 83.54 1.93 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.172 0.511 . . . . 72.12 110.263 174.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.547 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 10.2 m . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 116.088 -0.505 . . . . 62.11 110.252 169.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.51 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 121.107 0.48 . . . . 74.41 110.727 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -68.27 -42.27 79.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.066 -0.515 . . . . 75.33 110.093 -177.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.627 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 17.1 t-80 -57.78 -40.92 80.97 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.452 -0.574 . . . . 73.14 109.452 175.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.42 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 67.4 mmtt -59.68 -52.34 65.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 62.14 110.741 178.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.785 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 46.6 t -55.7 -43.85 74.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.145 -0.48 . . . . 72.4 110.561 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.42 ' CD1' ' HE1' ' A' ' 21' ' ' PHE . 13.4 m-30 -63.11 -48.47 78.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.062 -0.517 . . . . 73.14 109.634 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.627 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 20.4 mm-40 -50.66 -47.35 58.73 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 113.032 0.753 . . . . 54.53 113.032 -173.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.522 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -89.29 -45.72 9.3 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.713 -0.395 . . . . 72.43 111.711 -175.764 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.522 ' H ' HD12 ' A' ' 12' ' ' LEU . 20.1 mt -61.78 -44.67 96.41 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.274 0.472 . . . . 60.23 112.274 -175.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -63.31 -28.71 70.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.142 0.496 . . . . 73.31 110.096 178.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -75.84 -33.87 60.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.816 -0.629 . . . . 62.33 110.361 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 6.8 mt-30 -75.98 -3.1 33.74 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.479 -0.782 . . . . 73.44 109.934 176.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.723 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 87.13 45.83 5.23 Favored Glycine 0 N--CA 1.43 -1.731 0 C-N-CA 120.598 -0.81 . . . . 60.01 111.338 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 4.6 t -123.71 135.4 53.84 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 119.832 -0.747 . . . . 72.51 111.241 172.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.463 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -123.76 -4.04 8.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.352 0.596 . . . . 65.3 109.689 170.101 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -93.71 82.3 4.32 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.393 -0.821 . . . . 54.44 110.899 -175.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.421 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 20.4 p90 -169.48 162.13 10.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.989 -1.005 . . . . 73.34 110.32 176.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.64 167.63 33.6 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.99 -0.624 . . . . 55.42 112.135 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.1 p -95.26 150.17 20.53 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.592 0.234 . . . . 61.55 111.358 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.41 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.413 0 N-CA-C 109.628 -0.508 . . . . 72.01 109.628 171.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 . . . . . 0 N--CA 1.448 -0.54 0 CA-C-O 121.013 0.435 . . . . 62.03 110.293 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.627 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 3.4 m-30 -78.27 103.3 8.12 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.693 -0.685 . . . . 73.34 109.8 175.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.71 76.64 1.98 Allowed Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.887 -0.597 . . . . 55.43 111.962 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.528 ' HB3' ' SD ' ' A' ' 74' ' ' MET . 6.4 m-85 -73.75 119.03 17.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.942 0.401 . . . . 52.54 110.004 177.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.533 ' HB3' HD12 ' A' ' 58' ' ' ILE . 1.3 m -135.29 143.99 46.54 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.99 -0.55 . . . . 75.51 110.505 -176.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.785 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 22.6 t80 -106.41 123.64 48.37 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.799 -0.445 . . . . 62.44 109.799 173.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.41 ' CE1' ' HG2' ' A' ' 24' ' ' LYS . 7.3 m-85 -99.92 134.69 42.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.469 -0.787 . . . . 62.01 111.624 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.421 ' HG3' ' HB3' ' A' ' 21' ' ' PHE . 60.1 ttt180 -134.95 119.19 17.71 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.777 -0.823 . . . . 75.42 108.777 167.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 59.53 19.42 7.9 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.589 0.588 . . . . 74.12 112.589 -179.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.12 -4.3 62.57 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.458 -0.877 . . . . 73.35 112.884 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -98.11 171.66 8.1 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.048 0.452 . . . . 75.01 110.149 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.533 HD12 ' HB3' ' A' ' 51' ' ' SER . 23.8 mm -104.87 109.73 28.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.324 -0.853 . . . . 64.54 110.012 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.618 HG11 HD13 ' A' ' 89' ' ' LEU . 88.7 t -88.14 -36.12 8.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 115.058 -0.973 . . . . 73.05 109.622 177.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.448 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -136.75 138.22 40.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.566 -0.743 . . . . 71.23 110.695 178.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.486 ' HD1' ' HG ' ' A' ' 51' ' ' SER . 76.1 t80 -141.88 133.52 26.94 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.9 0.381 . . . . 73.32 110.087 173.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.478 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -156.77 104.63 0.26 Allowed Glycine 0 N--CA 1.438 -1.19 0 N-CA-C 111.119 -0.793 . . . . 54.02 111.119 175.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.627 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 20.0 pttm -101.15 151.91 21.27 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.363 -0.535 . . . . 73.5 109.564 176.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.8 t -165.73 162.42 18.65 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.697 -0.683 . . . . 54.33 109.67 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -68.11 -23.18 64.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.862 0.363 . . . . 74.35 110.348 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -108.44 139.26 43.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.97 -0.559 . . . . 71.12 110.843 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.508 HG23 ' CE2' ' A' ' 50' ' ' PHE . 3.0 p -60.5 -43.53 94.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.814 -0.63 . . . . 54.13 111.123 177.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.491 ' HA ' ' CE ' ' A' ' 71' ' ' LYS . . . -62.57 -43.6 98.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.602 -0.272 . . . . 72.44 111.729 -177.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -68.85 -46.2 69.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.312 -0.404 . . . . 72.21 110.376 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.1 -46.76 82.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.888 -0.596 . . . . 73.0 111.062 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.491 ' CE ' ' HA ' ' A' ' 68' ' ' ALA . 55.5 mtmt -55.42 -47.33 76.12 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.288 0.566 . . . . 70.1 110.223 174.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -55.22 -48.52 73.78 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.831 -1.077 . . . . 63.45 111.106 -174.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.493 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 37.6 mt -58.75 -54.71 29.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.758 -0.655 . . . . 74.34 111.626 -177.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.528 ' SD ' ' HB3' ' A' ' 50' ' ' PHE . 2.5 ptt? -64.44 -39.15 93.27 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.905 -0.318 . . . . 75.54 110.66 -176.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.51 ' HA ' HG21 ' A' ' 5' ' ' ILE . 60.2 mttm -61.18 -45.22 95.5 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.199 -0.2 . . . . 73.44 110.982 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -64.14 -20.27 65.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.57 -0.286 . . . . 73.15 111.271 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.494 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 37.6 mmt180 -66.56 -66.72 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.669 -0.241 . . . . 75.54 110.388 177.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.679 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -61.29 -33.67 73.94 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.546 -0.461 . . . . 73.22 110.221 178.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -52.64 -49.93 64.18 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.194 -0.457 . . . . 72.02 109.95 177.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -67.83 -28.56 67.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.356 -0.384 . . . . 55.41 110.937 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 93.1 mt -71.87 -38.08 70.09 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.634 -0.257 . . . . 60.31 111.048 -178.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.479 HD21 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -80.64 -24.29 39.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.701 0.286 . . . . 74.1 110.839 176.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.96 -41.34 59.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.277 0.56 . . . . 54.34 111.036 175.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -88.79 -22.35 23.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.624 -0.716 . . . . 60.24 109.969 -175.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 66.64 56.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.364 -0.835 . . . . 72.34 109.902 -174.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.2 m -98.99 145.0 27.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.903 -1.044 . . . . 75.1 110.5 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -66.55 -11.43 52.95 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.718 0.636 . . . . 74.43 112.718 -173.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.505 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.8 mm? -56.57 -38.62 72.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.654 0.242 . . . . 74.22 111.654 -175.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.679 HD22 ' HB3' ' A' ' 78' ' ' LEU . 18.6 tp -109.74 -24.88 10.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.103 0.478 . . . . 74.05 111.069 177.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 mt -108.36 19.74 19.47 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 112.872 0.693 . . . . 65.53 112.872 -168.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -67.68 159.9 29.12 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.05 0.452 . . . . 75.21 111.183 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.7 m -77.98 134.22 37.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.58 -0.736 . . . . 62.33 110.358 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.2 p -137.58 171.23 14.76 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.204 -0.453 . . . . 64.51 109.936 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -111.76 75.05 0.9 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.883 -0.327 . . . . 73.41 111.264 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.723 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 74.3 m . . . . . 0 N--CA 1.452 -0.348 0 C-N-CA 120.068 -0.653 . . . . 75.31 109.817 165.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.517 HD11 HD21 ' A' ' 82' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.998 0.428 . . . . 75.23 110.72 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -67.82 -42.38 81.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.123 -0.49 . . . . 72.04 109.759 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.674 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 2.5 m80 -53.92 -48.29 70.32 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.82 -0.627 . . . . 74.14 110.298 173.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -53.67 -53.59 49.78 Favored 'General case' 0 N--CA 1.463 0.21 0 O-C-N 123.687 0.617 . . . . 74.55 111.289 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.772 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 50.4 t -54.44 -43.05 61.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 71.1 110.914 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -70.48 -38.35 74.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.192 -0.458 . . . . 73.34 109.894 -177.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.674 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 20.0 mm-40 -55.08 -48.34 73.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.018 -0.537 . . . . 55.41 111.783 -174.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.572 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -92.56 -46.2 7.74 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.274 0.472 . . . . 74.31 112.274 -173.402 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.572 ' H ' HD12 ' A' ' 12' ' ' LEU . 22.7 mt -62.78 -44.0 97.34 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.562 0.579 . . . . 74.41 112.562 -174.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.667 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 13.4 pttm -66.49 -23.09 66.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.938 0.399 . . . . 75.53 110.118 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -82.84 -35.92 25.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.754 -0.657 . . . . 61.32 110.615 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -66.77 -38.62 86.92 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.362 0.601 . . . . 74.11 109.935 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.509 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 133.46 39.17 0.21 Allowed Glycine 0 N--CA 1.441 -1.003 0 CA-C-N 115.169 -0.923 . . . . 62.22 112.255 -177.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.667 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 2.9 t -127.78 134.69 49.5 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.385 -0.526 . . . . 73.33 110.908 173.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.45 1.92 9.6 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.479 0.657 . . . . 73.02 109.433 170.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.437 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 21.8 t0 -103.18 83.08 2.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.317 -0.856 . . . . 73.14 110.961 -171.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.459 ' HE2' ' HB3' ' A' ' 18' ' ' CYS . 11.2 p90 -169.09 161.82 10.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.42 -0.809 . . . . 72.1 110.393 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.8 171.74 37.12 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.75 -0.54 . . . . 74.42 111.75 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.2 p -95.24 150.98 19.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.062 0.458 . . . . 61.34 111.522 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.594 ' HE3' ' OG ' ' A' ' 51' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.71 0 N-CA-C 109.198 -0.667 . . . . 72.4 109.198 171.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 . . . . . 0 N--CA 1.442 -0.866 0 N-CA-C 109.613 -0.514 . . . . 65.41 109.613 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -73.16 108.41 6.03 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.23 -0.441 . . . . 73.33 109.941 177.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.05 76.53 1.76 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.838 -0.696 . . . . 71.12 111.637 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.681 ' CE1' HG23 ' A' ' 67' ' ' VAL . 1.5 m-85 -78.67 124.76 28.52 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.016 0.436 . . . . 64.24 110.063 177.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.691 ' HG ' ' HD1' ' A' ' 61' ' ' TYR . 2.8 m -150.51 154.83 38.33 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.313 -0.403 . . . . 73.53 110.733 -178.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.772 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 27.1 t80 -112.44 123.94 51.4 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.273 -0.64 . . . . 74.41 109.273 172.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.526 ' CE2' ' HG2' ' A' ' 24' ' ' LYS . 3.4 m-85 -99.49 140.59 33.45 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.406 -0.815 . . . . 72.42 111.646 -177.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -143.57 117.22 9.22 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.409 -0.814 . . . . 75.24 108.828 168.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.437 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 16.5 m-70 62.92 21.2 12.72 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.081 0.4 . . . . 73.2 112.081 -178.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.46 7.6 84.44 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.231 -0.985 . . . . 63.25 112.41 -177.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -101.66 175.19 5.64 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 109.455 -0.572 . . . . 74.44 109.455 174.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.497 HD12 ' HB3' ' A' ' 51' ' ' SER . 23.2 mm -113.07 114.92 48.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.398 0.618 . . . . 72.3 110.422 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.663 HG11 HD13 ' A' ' 89' ' ' LEU . 96.3 t -93.33 -34.87 6.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 115.15 -0.932 . . . . 75.42 109.429 175.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.54 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -133.25 135.16 44.78 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.402 -0.817 . . . . 71.12 110.369 179.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.691 ' HD1' ' HG ' ' A' ' 51' ' ' SER . 65.3 t80 -142.0 128.08 19.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.836 0.35 . . . . 75.35 110.156 175.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.509 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -148.57 99.89 0.2 Allowed Glycine 0 N--CA 1.44 -1.079 0 N-CA-C 111.028 -0.829 . . . . 35.31 111.028 177.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -96.5 122.77 39.76 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.823 0.344 . . . . 72.31 110.403 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.438 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 57.4 m -152.08 158.2 42.67 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.351 -0.386 . . . . 71.31 110.544 178.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -69.39 -29.49 67.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.982 0.42 . . . . 70.3 110.434 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.469 ' NZ ' ' HB2' ' A' ' 66' ' ' LYS . 2.2 ttmp? -104.26 129.1 52.09 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.248 -0.433 . . . . 64.54 110.264 177.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.681 HG23 ' CE1' ' A' ' 50' ' ' PHE . 2.2 p -52.46 -47.39 47.57 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 115.659 -0.7 . . . . 72.22 111.869 -177.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.46 -40.56 75.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.406 0.521 . . . . 63.45 112.406 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 72' ' ' TYR . 7.0 t30 -73.41 -46.84 46.31 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.123 0.487 . . . . 74.14 110.036 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.438 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -56.99 -47.04 81.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.326 -0.852 . . . . 73.51 110.759 178.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.452 ' HG2' ' HE2' ' A' ' 75' ' ' LYS . 30.1 ttpt -64.53 -37.66 88.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.323 -1.308 . . . . 75.12 110.151 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.405 ' HB3' ' O ' ' A' ' 69' ' ' ASN . 36.2 t80 -58.8 -49.73 76.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.269 -0.878 . . . . 74.11 110.876 178.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.538 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 34.8 mt -59.31 -49.78 82.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.829 -0.623 . . . . 62.23 110.565 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 59.0 ttp -52.38 -53.75 40.77 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.579 -0.737 . . . . 75.33 110.998 177.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.457 ' HA ' HG21 ' A' ' 5' ' ' ILE . 50.9 mttm -59.55 -48.24 82.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.653 -0.703 . . . . 65.04 111.464 -177.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -59.61 -25.68 64.83 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.765 0.283 . . . . 71.52 111.765 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.547 ' NE ' ' HA ' ' A' ' 77' ' ' ARG . 3.2 mmp_? -63.26 -66.05 0.6 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.691 -0.231 . . . . 65.21 110.954 177.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.568 HD21 ' CG ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -68.39 -32.9 73.29 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 119.868 -0.733 . . . . 71.2 110.611 -178.164 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -50.86 -48.36 60.18 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.422 -0.585 . . . . 71.35 109.422 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -66.92 -34.27 77.4 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.806 -0.634 . . . . 72.52 111.226 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.58 ' HG ' ' HB2' ' A' ' 86' ' ' SER . 4.8 mp -68.54 -35.25 77.18 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.278 -0.419 . . . . 62.14 111.933 -177.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.517 HD21 HD11 ' A' ' 5' ' ' ILE . 0.9 OUTLIER -87.37 -21.38 25.69 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.846 -0.341 . . . . 61.53 111.516 179.324 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -80.71 -48.79 12.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.278 0.561 . . . . 73.24 110.547 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 85' ' ' LYS . 9.4 t70 -79.04 -21.08 47.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.663 -0.699 . . . . 74.35 110.275 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 84' ' ' ASP . 13.7 mmmm 72.46 38.71 0.79 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.141 -0.936 . . . . 72.0 110.911 -178.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.58 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 5.6 m -71.5 128.18 34.99 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.24 -0.891 . . . . 61.2 109.721 175.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -67.83 1.23 2.7 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.607 0.595 . . . . 74.53 112.607 -174.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.86 -39.51 87.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.738 0.304 . . . . 61.13 110.962 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.663 HD13 HG11 ' A' ' 59' ' ' VAL . 14.3 tp -94.69 -19.7 20.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.014 0.435 . . . . 72.44 110.759 175.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.3 mt -111.96 17.63 19.52 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 113.44 0.904 . . . . 64.11 113.44 -166.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -65.77 162.21 19.2 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.12 0.486 . . . . 75.5 111.718 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.5 m -87.92 145.71 25.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.65 -0.704 . . . . 72.23 111.354 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.1 p -150.94 162.24 41.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.515 -0.766 . . . . 74.41 109.062 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -105.15 73.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.55 0.214 . . . . 63.42 111.256 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 11.7 m . . . . . 0 C--N 1.331 -0.207 0 C-N-CA 120.283 -0.567 . . . . 73.14 110.088 170.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.583 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.447 -0.582 0 CA-C-O 121.309 0.576 . . . . 71.15 110.422 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mp0 -64.75 -37.07 86.36 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.309 -0.859 . . . . 71.5 110.031 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.743 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 29.6 m170 -67.97 -42.69 80.46 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.506 -0.478 . . . . 74.34 109.978 175.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -58.79 -48.84 79.85 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 123.339 0.399 . . . . 64.34 110.617 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.441 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 10.4 p -65.57 -35.13 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.906 -0.588 . . . . 70.42 111.034 -177.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.447 ' CD1' ' HE1' ' A' ' 21' ' ' PHE . 15.3 m-30 -70.04 -33.42 71.94 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 109.771 -0.455 . . . . 74.42 109.771 177.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.743 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 27.0 mm-40 -56.3 -60.18 3.87 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.967 -0.56 . . . . 63.21 111.792 -175.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.463 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -82.44 -35.81 27.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.453 -0.794 . . . . 65.44 112.101 -172.475 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.463 ' H ' HD12 ' A' ' 12' ' ' LEU . 21.1 mt -63.26 -47.32 82.88 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.634 -0.426 . . . . 72.12 111.828 -179.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -65.25 -24.42 67.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.222 0.534 . . . . 52.24 109.926 178.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.423 ' HB3' ' O ' ' A' ' 12' ' ' LEU . 31.6 t70 -73.05 -46.5 51.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.507 -0.769 . . . . 71.2 110.718 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -65.22 -33.67 76.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.729 -0.669 . . . . 55.2 110.015 178.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.597 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 121.27 36.2 0.76 Allowed Glycine 0 N--CA 1.439 -1.12 0 CA-C-N 115.312 -0.858 . . . . 65.04 112.005 -179.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 13' ' ' LEU . 4.0 t -110.0 145.42 37.01 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.43 -0.508 . . . . 74.31 110.794 174.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -133.5 -5.69 2.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.562 0.696 . . . . 70.01 110.116 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.486 ' OD1' ' HA ' ' A' ' 55' ' ' HIS . 14.0 t70 -106.16 88.28 2.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.625 -0.716 . . . . 64.51 110.41 -172.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.447 ' HE1' ' CD1' ' A' ' 10' ' ' TYR . 10.0 p90 -168.06 147.26 4.66 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.126 -0.943 . . . . 72.32 110.406 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.39 -171.74 34.56 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.712 -0.555 . . . . 63.24 111.712 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.2 p -126.21 147.07 49.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.839 0.32 . . . . 74.42 111.066 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.541 ' HG2' ' HB3' ' A' ' 51' ' ' SER . 41.0 pttt . . . . . 0 C--N 1.327 -0.405 0 CA-C-O 121.02 0.438 . . . . 51.53 109.932 173.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 . . . . . 0 N--CA 1.447 -0.584 0 N-CA-C 109.854 -0.424 . . . . 63.14 109.854 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -87.69 117.12 26.29 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 109.572 -0.529 . . . . 72.11 109.572 173.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.98 82.71 1.09 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 121.007 -0.616 . . . . 72.25 111.641 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.619 ' HE1' HG23 ' A' ' 67' ' ' VAL . 3.0 m-85 -78.58 139.24 38.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.668 0.271 . . . . 62.44 110.49 177.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.692 ' OG ' HD12 ' A' ' 58' ' ' ILE . 8.9 t -161.71 140.44 9.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.352 -0.386 . . . . 53.44 110.753 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.56 ' CG ' HD21 ' A' ' 78' ' ' LEU . 52.3 t80 -98.23 124.08 42.64 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 109.704 -0.48 . . . . 75.23 109.704 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -95.02 138.1 33.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.269 -0.878 . . . . 71.42 111.73 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.461 ' HB3' HG23 ' A' ' 59' ' ' VAL . 14.2 tpt180 -141.74 104.63 4.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.124 -0.944 . . . . 65.12 109.627 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.486 ' HA ' ' OD1' ' A' ' 20' ' ' ASP . 6.0 m-70 59.36 29.76 19.37 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.965 0.412 . . . . 61.34 111.163 -178.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.49 -3.37 86.62 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.73 -0.747 . . . . 71.3 112.41 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -97.58 175.7 6.11 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 109.273 -0.64 . . . . 75.31 109.273 177.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.692 HD12 ' OG ' ' A' ' 51' ' ' SER . 30.8 mm -116.37 121.28 67.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-O 121.403 0.62 . . . . 73.43 110.779 -178.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.63 HG11 HD13 ' A' ' 89' ' ' LEU . 89.6 t -101.68 -39.58 6.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.094 -0.957 . . . . 54.14 109.854 177.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.47 ' HB3' ' CB ' ' A' ' 52' ' ' PHE . . . -123.92 139.77 53.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.764 -0.653 . . . . 74.02 110.491 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -148.43 136.21 20.78 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.524 -0.547 . . . . 74.12 109.524 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -151.49 105.34 0.28 Allowed Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.607 -0.597 . . . . 64.11 111.607 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -93.56 120.6 34.03 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.888 -0.412 . . . . 73.24 109.888 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.538 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 62.2 m -150.57 155.05 38.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.207 0.527 . . . . 72.44 111.939 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -67.97 -23.61 65.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.445 -0.798 . . . . 65.45 110.533 175.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -105.14 126.83 52.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.62 -0.718 . . . . 63.44 110.576 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.619 HG23 ' HE1' ' A' ' 50' ' ' PHE . 7.2 p -56.76 -38.76 59.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 115.902 -0.59 . . . . 70.23 111.032 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.581 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . . . -70.25 -42.32 72.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.35 -0.386 . . . . 52.23 111.779 178.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -64.91 -45.82 84.29 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.989 0.423 . . . . 70.13 110.346 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.538 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -58.94 -43.54 91.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.969 0.89 . . . . 43.21 110.34 177.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.581 ' HE3' ' HA ' ' A' ' 68' ' ' ALA . 19.4 ttpp -62.43 -40.6 97.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.054 -1.43 . . . . 73.53 110.201 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -59.27 -48.81 80.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.993 -1.003 . . . . 65.32 110.837 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.0 mt -60.02 -49.73 82.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.865 -0.607 . . . . 72.01 110.897 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.494 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 56.0 ttp -50.93 -51.5 51.62 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.764 -0.653 . . . . 74.43 110.716 175.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.583 ' HA ' HG21 ' A' ' 5' ' ' ILE . 44.2 mttm -58.7 -49.19 78.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.604 -0.725 . . . . 52.32 111.539 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -59.2 -27.49 65.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.515 -0.311 . . . . 75.13 111.673 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 74' ' ' MET . 23.9 mmm180 -58.76 -66.29 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.425 -0.352 . . . . 74.23 111.1 176.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.738 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -67.01 -31.89 72.74 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 120.204 -0.598 . . . . 74.25 110.147 -179.269 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -51.31 -48.08 62.42 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.865 -0.607 . . . . 62.32 110.561 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 8.3 mmmt -70.38 -32.47 70.15 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.866 -0.334 . . . . 71.14 110.906 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.604 HD23 ' HB2' ' A' ' 89' ' ' LEU . 4.1 mp -64.85 -43.59 92.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.719 -0.219 . . . . 64.42 111.552 -178.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.56 HD21 HD11 ' A' ' 5' ' ' ILE . 1.2 pp -78.62 -19.21 53.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.814 0.34 . . . . 53.31 111.563 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -84.89 -41.3 16.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.032 0.444 . . . . 75.11 111.036 176.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.12 -11.87 48.79 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.685 -0.689 . . . . 75.21 110.132 -176.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp 64.07 39.04 8.07 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.545 -0.752 . . . . 74.32 111.505 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.4 m -79.72 134.56 36.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.331 -0.85 . . . . 75.02 109.888 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.436 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 3.9 p-10 -74.07 5.17 4.56 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.192 0.442 . . . . 72.21 112.192 -172.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.86 -43.86 87.16 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 121.12 -0.232 . . . . 75.42 111.044 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 78' ' ' LEU . 12.8 tp -100.46 -15.47 17.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.482 0.658 . . . . 71.21 110.774 174.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.457 HD11 ' HA ' ' A' ' 82' ' ' LEU . 13.9 mt -110.36 25.92 11.25 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 113.148 0.796 . . . . 74.2 113.148 -170.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.436 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 27.8 p90 -79.56 159.55 26.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.939 0.4 . . . . 71.54 111.41 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.2 p -88.69 147.14 24.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.954 -0.566 . . . . 63.02 110.431 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 22.1 p -141.37 -173.0 3.63 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.937 -0.574 . . . . 62.14 110.086 -175.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -112.95 65.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.589 0.233 . . . . 61.45 111.255 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.597 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 13.5 m . . . . . 0 N--CA 1.466 0.357 0 O-C-N 121.977 -0.452 . . . . 74.51 110.718 172.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.566 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER . . . . . 0 CA--C 1.537 0.443 0 CA-C-O 120.623 0.249 . . . . 73.43 110.552 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -64.93 -33.85 77.02 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.145 0.497 . . . . 55.32 109.981 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.596 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 6.5 t-160 -63.09 -46.29 88.08 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.122 -0.695 . . . . 74.41 109.122 176.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 59.5 mmtt -61.58 -52.23 65.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.624 -0.716 . . . . 63.12 111.246 -175.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.647 HG22 HD22 ' A' ' 13' ' ' LEU . 3.7 p -61.76 -41.14 89.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 71.21 111.89 -175.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.422 ' CD1' HG13 ' A' ' 9' ' ' VAL . 12.3 m-30 -71.5 -27.63 63.35 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.571 -0.452 . . . . 73.32 110.067 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 16.5 mm-40 -57.3 -54.46 46.53 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.866 -0.607 . . . . 61.41 111.312 -177.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.657 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -85.54 -41.43 15.3 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.671 -0.695 . . . . 73.14 111.108 -175.614 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.814 HD23 ' CD2' ' A' ' 21' ' ' PHE . 2.9 mp -51.84 -45.78 64.12 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.136 0.791 . . . . 71.12 113.136 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.515 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 18.2 pttm -66.16 -29.27 69.53 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.97 -0.381 . . . . 74.14 109.97 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -73.57 -41.67 62.62 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.399 0.619 . . . . 65.34 110.442 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.657 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 21.7 mt-30 -64.1 -9.55 17.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.999 -1.0 . . . . 44.21 110.784 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.665 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 92.47 33.65 7.44 Favored Glycine 0 N--CA 1.433 -1.514 0 CA-C-N 115.55 -0.75 . . . . 55.22 111.778 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.522 ' HB3' ' HE2' ' A' ' 21' ' ' PHE . 2.3 t -115.7 139.95 49.66 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 120.164 -0.614 . . . . 61.14 111.174 173.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.404 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -120.92 -8.69 9.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.154 0.502 . . . . 74.11 109.994 168.862 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.593 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 21.6 t0 -93.1 88.35 6.06 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.489 -0.778 . . . . 41.31 111.235 -173.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.814 ' CD2' HD23 ' A' ' 13' ' ' LEU . 6.2 p90 -168.1 165.49 13.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.776 -1.102 . . . . 73.15 111.122 177.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.65 -179.38 42.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.221 -0.514 . . . . 71.41 112.21 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.1 p -112.76 134.58 54.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.785 0.292 . . . . 65.31 110.949 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HG2' ' HB2' ' A' ' 51' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 109.876 -0.416 . . . . 73.53 109.876 177.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 . . . . . 0 N--CA 1.446 -0.637 0 CA-C-O 120.919 0.39 . . . . 73.24 110.463 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.543 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 4.9 m-30 -71.19 108.52 4.73 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.794 -0.639 . . . . 74.5 109.722 176.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.63 83.77 1.23 Allowed Glycine 0 N--CA 1.441 -0.971 0 C-N-CA 120.846 -0.693 . . . . 74.23 111.585 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.516 ' CE2' HG23 ' A' ' 67' ' ' VAL . 4.6 m-85 -86.38 131.07 34.29 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.007 0.432 . . . . 73.51 109.842 175.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.537 ' HB3' HD12 ' A' ' 58' ' ' ILE . 11.7 m -153.29 152.4 31.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.181 -0.463 . . . . 64.03 110.233 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.595 ' CG ' HD21 ' A' ' 78' ' ' LEU . 30.7 t80 -107.85 126.9 53.22 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.721 -0.474 . . . . 72.42 109.721 175.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -99.2 135.71 40.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.539 -0.755 . . . . 74.13 111.663 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.499 HH21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -140.81 104.52 4.71 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.331 -0.988 . . . . 74.33 108.331 175.78 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.593 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 10.6 m-70 63.79 33.35 12.88 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.156 -0.475 . . . . 73.43 111.689 -173.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.44 -4.96 57.87 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.572 -0.823 . . . . 24.03 112.416 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -88.71 173.38 8.62 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 109.484 -0.561 . . . . 72.23 109.484 176.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.537 HD12 ' HB3' ' A' ' 51' ' ' SER . 23.0 mm -109.99 117.19 54.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-O 121.447 0.641 . . . . 71.01 110.614 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.686 HG11 HD13 ' A' ' 89' ' ' LEU . 72.6 t -96.12 -38.66 8.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.112 -0.949 . . . . 73.05 109.831 176.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -128.34 142.59 51.08 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.709 -0.678 . . . . 63.12 110.452 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -145.29 138.76 26.61 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.676 -0.49 . . . . 61.03 109.676 175.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.69 107.35 0.27 Allowed Glycine 0 N--CA 1.44 -1.08 0 N-CA-C 111.507 -0.637 . . . . 52.25 111.507 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 7.6 ptpp? -101.88 144.29 30.72 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.375 -0.602 . . . . 72.54 109.375 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.3 t -159.91 162.09 34.44 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.846 -0.615 . . . . 74.1 109.767 -178.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -70.47 -20.12 62.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.642 0.258 . . . . 73.1 110.59 -178.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.441 ' HD3' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -118.01 144.91 45.16 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.14 -0.482 . . . . 62.25 110.566 -179.611 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.518 HG22 ' HE2' ' A' ' 71' ' ' LYS . 3.6 p -61.01 -45.11 99.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.618 -0.719 . . . . 71.24 111.731 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.77 97.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.723 0.297 . . . . 72.32 111.427 -177.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -46.73 74.47 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.849 -0.426 . . . . 73.15 109.849 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.37 -49.52 76.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.774 -0.648 . . . . 32.42 111.438 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.518 ' HE2' HG22 ' A' ' 67' ' ' VAL . 56.6 mtmt -56.39 -43.95 79.76 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.082 0.468 . . . . 74.35 110.589 177.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -55.31 -46.4 76.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.386 -0.825 . . . . 73.13 111.148 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.425 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 35.5 mt -60.8 -53.72 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.64 -0.709 . . . . 73.1 111.579 -178.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.467 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.6 ptt? -62.61 -37.66 87.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.542 -0.299 . . . . 73.41 110.738 -177.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.566 ' HA ' HG21 ' A' ' 5' ' ' ILE . 60.9 mttm -57.45 -50.66 72.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.616 -0.265 . . . . 75.22 110.773 178.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -59.57 -24.53 63.81 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.212 -0.449 . . . . 73.31 111.406 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.511 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 14.6 mmt85 -62.23 -66.57 0.52 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.5 -0.318 . . . . 73.25 110.457 178.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.797 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -66.93 -31.96 72.9 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 120.64 -0.424 . . . . 74.1 110.221 -179.394 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -51.75 -45.0 63.52 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.813 -0.631 . . . . 71.31 110.526 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -75.22 -30.71 60.66 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.893 -0.323 . . . . 73.32 111.156 178.242 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 87.0 mt -66.14 -39.48 89.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.638 -0.255 . . . . 74.55 111.072 -177.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 5' ' ' ILE . 1.1 pp -80.82 -22.04 40.34 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.739 0.274 . . . . 70.03 111.739 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -82.13 -37.75 25.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.282 0.563 . . . . 71.51 110.623 176.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -83.83 -19.51 34.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.591 -0.731 . . . . 62.22 110.01 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.458 ' HA ' ' CD1' ' A' ' 90' ' ' LEU . 48.9 mmtm 65.43 46.61 2.5 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.191 -0.913 . . . . 72.4 109.665 -175.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 m -81.07 134.76 35.72 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.664 -1.153 . . . . 74.14 109.809 177.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -64.91 -10.81 31.62 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.234 0.457 . . . . 65.01 112.234 -176.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.481 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -57.13 -39.67 75.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.673 0.273 . . . . 71.53 111.478 -176.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.797 HD22 ' HB3' ' A' ' 78' ' ' LEU . 24.0 tp -107.86 -21.28 12.9 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.424 0.631 . . . . 71.24 110.596 177.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 85' ' ' LYS . 8.0 mt -109.51 24.35 13.19 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.503 -0.771 . . . . 63.24 112.225 -169.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -73.04 158.8 34.71 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.076 0.465 . . . . 75.44 110.943 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.9 m -83.82 140.99 31.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.337 -0.847 . . . . 64.21 110.551 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.6 p -145.3 163.31 34.89 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.622 -0.717 . . . . 62.02 109.427 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -106.74 70.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.507 -0.477 . . . . 74.14 111.376 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.665 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 40.8 m . . . . . 0 C--N 1.332 -0.179 0 C-N-CA 119.937 -0.705 . . . . 74.11 110.237 170.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.603 HD11 HD21 ' A' ' 82' ' ' LEU . 4.0 tp . . . . . 0 N--CA 1.456 -0.167 0 N-CA-C 112.027 0.38 . . . . 71.32 112.027 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.598 ' O ' ' HD1' ' A' ' 10' ' ' TYR . 41.4 mt-10 -65.81 -43.0 89.94 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 109.043 -0.725 . . . . 61.35 109.043 -177.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.441 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 68.5 m80 -57.05 -43.94 82.5 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.561 -0.745 . . . . 72.53 110.201 175.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -62.35 -51.16 68.73 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.172 -0.467 . . . . 60.41 110.218 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.652 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 57.1 t -48.67 -52.69 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 O-C-N 123.891 0.744 . . . . 62.32 111.295 178.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.598 ' HD1' ' O ' ' A' ' 6' ' ' GLU . 27.1 m-85 -64.06 -45.15 90.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.579 -0.282 . . . . 63.14 110.465 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 22.1 mm-40 -50.88 -39.52 54.17 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.836 0.68 . . . . 73.11 112.836 -174.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.58 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -100.63 -48.1 4.63 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.505 -0.478 . . . . 62.51 112.226 -179.124 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.815 HD13 HH11 ' A' ' 54' ' ' ARG . 25.6 mt -59.31 -44.03 92.59 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.256 0.465 . . . . 73.01 112.256 -173.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.647 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 18.9 pttp -65.42 -28.04 68.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.295 0.569 . . . . 65.34 109.942 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.52 -13.27 43.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.462 -0.79 . . . . 75.2 111.074 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 36.0 mt-30 -82.15 -28.55 32.07 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.595 0.712 . . . . 74.14 109.422 173.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.553 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 116.35 29.98 2.18 Favored Glycine 0 N--CA 1.437 -1.257 0 CA-C-N 114.976 -1.011 . . . . 41.31 111.515 -174.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.647 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 4.3 t -121.45 134.24 55.08 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.721 -0.391 . . . . 63.25 110.021 173.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.22 -1.9 9.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.556 0.693 . . . . 64.11 109.841 170.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -94.88 84.17 4.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.193 -0.912 . . . . 61.33 110.738 -173.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 6.7 p90 -165.2 161.77 19.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.508 -0.769 . . . . 72.12 111.217 176.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.3 -176.96 45.82 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.877 -0.601 . . . . 42.43 111.812 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.2 p -123.5 144.81 49.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.07 0.435 . . . . 74.22 111.035 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.1 pttt . . . . . 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 74.32 110.433 176.099 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 . . . . . 0 N--CA 1.448 -0.547 0 CA-C-O 121.457 0.646 . . . . 74.31 111.655 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -83.48 108.85 16.89 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.732 -1.122 . . . . 73.11 110.236 176.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.56 72.54 2.72 Favored Glycine 0 N--CA 1.442 -0.945 0 C-N-CA 120.807 -0.711 . . . . 73.32 111.505 176.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.531 ' HE2' HG23 ' A' ' 67' ' ' VAL . 2.1 m-85 -69.25 121.27 16.48 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.496 -0.557 . . . . 74.44 109.496 176.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.697 ' OG ' HD12 ' A' ' 58' ' ' ILE . 7.4 t -142.46 142.8 32.37 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.313 -0.555 . . . . 53.34 110.87 -177.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.652 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 69.0 t80 -95.96 126.71 41.39 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.907 -0.588 . . . . 73.23 110.227 177.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -102.18 137.77 40.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.15 0.906 . . . . 75.02 111.209 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.815 HH11 HD13 ' A' ' 13' ' ' LEU . 13.0 ttt180 -149.57 126.7 11.31 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.335 -0.848 . . . . 73.54 109.359 171.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 53.93 32.53 15.44 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.423 0.527 . . . . 75.34 112.423 -175.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.22 9.75 81.04 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.657 -0.782 . . . . 72.43 112.754 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -111.87 174.24 5.97 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 109.587 -0.523 . . . . 44.24 109.587 176.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.697 HD12 ' OG ' ' A' ' 51' ' ' SER . 29.2 mm -108.53 116.82 52.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.604 -0.725 . . . . 73.1 110.486 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.58 HG11 HD13 ' A' ' 89' ' ' LEU . 60.5 t -93.8 -37.82 8.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.541 -0.754 . . . . 51.03 110.079 176.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -132.43 139.98 48.25 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.123 -0.49 . . . . 32.53 111.109 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.43 ' CE2' ' HB2' ' A' ' 63' ' ' LYS . 54.4 t80 -139.21 135.53 34.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.901 0.381 . . . . 53.2 110.11 172.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -146.57 109.94 0.51 Allowed Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.861 -0.609 . . . . 73.13 111.606 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.43 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 38.7 ttmt -103.56 118.12 35.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.547 0.213 . . . . 50.55 110.487 -177.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.6 t -149.71 168.8 22.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.94 0.4 . . . . 51.32 110.795 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.401 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 8.6 ptp85 -86.13 -9.68 56.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.871 -0.604 . . . . 71.55 110.234 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.603 ' HB2' ' HB3' ' A' ' 69' ' ' ASN . 19.9 mmtm -107.1 129.26 54.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.826 -0.624 . . . . 72.1 109.32 176.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.564 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 7.9 p -54.83 -43.47 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.027 0.441 . . . . 75.34 110.644 176.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.479 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . . . -74.34 -34.42 63.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.943 -0.571 . . . . 53.24 112.162 -178.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.603 ' HB3' ' HB2' ' A' ' 66' ' ' LYS . 3.0 t-20 -73.4 -45.76 52.79 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.771 0.319 . . . . 75.11 110.161 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.44 ' HA ' HD12 ' A' ' 73' ' ' ILE . . . -57.5 -47.12 82.8 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.856 0.836 . . . . 62.3 109.923 175.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.564 ' HB2' ' O ' ' A' ' 67' ' ' VAL . 23.1 ttpt -59.36 -41.39 89.14 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.008 -1.451 . . . . 71.21 110.147 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.443 ' HB3' ' O ' ' A' ' 69' ' ' ASN . 53.4 t80 -59.07 -47.68 84.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.622 -0.717 . . . . 74.2 111.27 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 70' ' ' ALA . 45.6 mt -58.54 -53.14 50.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.948 -0.569 . . . . 72.11 111.16 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.2 ptt? -61.43 -36.89 81.64 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.793 -0.363 . . . . 62.43 110.218 178.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.579 ' HG2' ' CG2' ' A' ' 5' ' ' ILE . 79.2 mttt -55.99 -50.62 70.34 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-O 120.367 0.127 . . . . 72.11 110.813 176.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -57.38 -28.79 63.52 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.162 -0.472 . . . . 71.4 111.665 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.553 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 36.5 mmt180 -60.67 -64.99 0.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.385 -0.37 . . . . 73.3 110.484 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.716 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -67.36 -32.12 72.83 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.663 -0.415 . . . . 63.22 110.67 179.523 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 3.2 tm? -53.48 -51.3 63.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.149 -0.478 . . . . 73.12 109.879 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -65.63 -31.37 72.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.232 -0.44 . . . . 65.24 110.791 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 89.8 mt -68.29 -38.17 81.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.649 -0.25 . . . . 75.35 111.065 -177.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.603 HD21 HD11 ' A' ' 5' ' ' ILE . 1.4 pp -81.06 -35.27 31.98 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.797 -0.361 . . . . 72.13 111.127 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -67.32 -37.09 82.75 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.385 0.612 . . . . 72.32 110.796 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -89.15 -17.23 29.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.466 -0.788 . . . . 70.43 110.166 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 63.39 48.97 3.34 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.209 -0.905 . . . . 64.42 110.511 -177.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.3 m -88.16 144.2 26.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.917 -1.038 . . . . 72.44 110.529 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.585 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 2.9 p-10 -77.87 7.52 5.83 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.459 0.54 . . . . 74.13 112.459 -173.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.71 -37.87 73.59 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 121.054 -0.258 . . . . 74.43 111.252 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.716 HD22 ' HB3' ' A' ' 78' ' ' LEU . 14.0 tp -109.29 -25.79 10.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.398 0.618 . . . . 73.04 110.283 177.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.515 HD11 ' HA ' ' A' ' 82' ' ' LEU . 5.6 mt -105.01 24.78 11.41 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.478 -0.783 . . . . 64.33 112.122 -170.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.585 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 43.2 p90 -73.65 164.48 26.59 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.227 0.537 . . . . 64.41 111.654 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.3 m -85.32 134.06 34.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.531 -0.758 . . . . 63.3 110.069 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.1 p -137.33 179.43 6.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.848 -0.615 . . . . 71.55 110.288 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -113.87 76.61 0.99 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.914 0.387 . . . . 53.04 111.128 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.553 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 65.0 m . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 121.287 0.565 . . . . 70.23 109.616 164.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.611 ' O ' HG23 ' A' ' 9' ' ' VAL . 6.1 tp . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 111.691 0.256 . . . . 65.45 111.691 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.64 -45.84 88.4 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.502 -0.555 . . . . 64.52 109.502 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.673 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 56.4 m80 -54.3 -45.99 72.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.892 -0.594 . . . . 74.35 110.341 174.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -61.0 -52.64 64.16 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.225 0.328 . . . . 75.42 110.484 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.675 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 59.9 t -53.12 -44.73 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 115.724 -0.671 . . . . 72.14 110.836 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.595 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 11.8 m-30 -65.33 -46.95 78.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.679 -0.489 . . . . 75.53 109.679 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.673 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 22.2 mm-40 -48.79 -53.8 17.69 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.759 0.662 . . . . 64.41 112.637 -173.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.539 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -85.02 -40.77 16.47 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.009 -0.541 . . . . 71.44 111.832 -174.68 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.522 ' H ' HD12 ' A' ' 12' ' ' LEU . 21.9 mt -63.86 -47.08 82.12 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.194 0.442 . . . . 70.2 112.194 -177.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 20.4 pttp -68.54 -17.29 64.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.171 0.51 . . . . 71.23 109.86 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 12' ' ' LEU . 17.5 t70 -77.52 -46.81 21.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.484 -0.78 . . . . 71.42 110.713 175.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.539 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 13.8 mt-30 -62.37 -31.15 71.76 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.711 -0.677 . . . . 72.44 110.224 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.621 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 119.29 36.18 0.88 Allowed Glycine 0 N--CA 1.437 -1.256 0 CA-C-N 114.999 -1.001 . . . . 10.43 111.622 -177.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 6.7 t -119.82 127.44 52.78 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.672 -0.411 . . . . 64.43 110.834 175.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -137.08 69.61 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.691 0.757 . . . . 61.13 109.494 166.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -153.01 80.83 1.2 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.608 -1.178 . . . . 62.2 108.13 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.443 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 3.8 p90 -165.54 161.54 18.6 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.942 -1.027 . . . . 63.55 110.328 -177.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.66 -172.23 45.19 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.381 -0.687 . . . . 55.2 111.381 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.4 p -125.38 144.01 50.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.974 0.387 . . . . 74.23 111.286 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.58 0 CA-C-O 121.392 0.615 . . . . 65.11 110.245 171.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.498 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 19.7 m-85 . . . . . 0 N--CA 1.447 -0.593 0 CA-C-O 120.959 0.409 . . . . 74.24 110.617 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.496 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 5.0 m-30 -74.72 109.06 7.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.573 -0.74 . . . . 74.21 110.042 176.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.59 71.46 2.99 Favored Glycine 0 N--CA 1.441 -1.022 0 N-CA-C 111.12 -0.792 . . . . 61.34 111.12 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.554 ' HE2' HG23 ' A' ' 67' ' ' VAL . 1.8 m-85 -65.76 135.91 55.53 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.902 -0.407 . . . . 71.44 109.902 177.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.508 ' HB2' HD12 ' A' ' 58' ' ' ILE . 6.9 p -157.31 149.27 22.5 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.067 0.46 . . . . 60.44 111.463 -178.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.675 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 38.8 t80 -106.64 121.28 44.02 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.539 -0.755 . . . . 71.44 109.736 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -91.04 143.72 26.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.464 -0.789 . . . . 64.14 111.258 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.526 ' HB3' HG23 ' A' ' 59' ' ' VAL . 14.0 tpt180 -148.01 104.46 3.56 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.085 -0.961 . . . . 72.52 110.018 -178.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 59.96 28.38 17.89 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.238 0.336 . . . . 63.33 111.483 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.88 -3.21 84.73 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.922 -0.656 . . . . 74.13 112.395 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -101.62 175.88 5.41 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.798 -0.445 . . . . 62.01 109.798 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.508 HD12 ' HB2' ' A' ' 51' ' ' SER . 22.3 mm -113.61 118.82 59.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.765 -0.652 . . . . 74.53 110.789 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.58 HG11 HD13 ' A' ' 89' ' ' LEU . 79.7 t -95.01 -38.93 9.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.717 -0.674 . . . . 62.41 109.798 176.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.42 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -128.96 140.68 51.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.966 -0.561 . . . . 40.34 110.748 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.487 ' CD2' ' HB3' ' A' ' 51' ' ' SER . 42.9 t80 -147.74 136.03 21.48 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.746 -0.464 . . . . 74.12 109.746 173.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.406 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -151.37 96.86 0.17 Allowed Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 111.571 -0.612 . . . . 55.53 111.571 177.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.498 ' HG3' ' HB3' ' A' ' 47' ' ' TYR . 29.5 ttpt -86.59 115.47 24.08 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 120.777 0.322 . . . . 72.52 110.952 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.49 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 37.5 t -147.69 152.84 38.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.16 -0.473 . . . . 65.1 110.738 -177.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -70.35 -28.74 65.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.382 0.61 . . . . 62.01 110.168 -179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.577 ' HE3' ' HB3' ' A' ' 68' ' ' ALA . 44.3 tttp -93.11 122.27 35.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.334 -0.848 . . . . 73.53 109.451 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.554 HG23 ' HE2' ' A' ' 50' ' ' PHE . 15.0 p -55.2 -39.48 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.785 0.326 . . . . 75.23 110.596 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.577 ' HB3' ' HE3' ' A' ' 66' ' ' LYS . . . -69.52 -35.49 75.55 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.315 -0.402 . . . . 53.31 111.859 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.441 ' HB2' ' HD3' ' A' ' 66' ' ' LYS . 12.3 t30 -77.32 -40.72 43.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.77 0.319 . . . . 71.15 110.14 -177.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 64' ' ' SER . . . -58.67 -46.18 87.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.926 -0.579 . . . . 74.4 110.525 174.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.569 ' CE ' ' HA ' ' A' ' 68' ' ' ALA . 50.1 mtmt -56.11 -47.73 77.53 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.769 -0.65 . . . . 74.41 110.168 173.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -54.77 -47.35 74.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.167 -0.924 . . . . 74.44 111.528 -175.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.457 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 37.1 mt -59.7 -55.48 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.769 -0.65 . . . . 74.03 111.407 -179.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.487 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.4 ptt? -62.27 -39.01 91.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.541 -0.3 . . . . 74.2 110.666 -178.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.546 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 54.6 mttm -55.62 -50.92 68.88 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 120.629 0.252 . . . . 44.35 110.36 178.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -63.35 -20.29 65.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.909 -0.587 . . . . 71.33 111.65 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 14.0 mmt85 -66.98 -65.87 0.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.515 -0.311 . . . . 72.31 110.659 178.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.622 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -65.92 -30.18 70.72 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.282 -0.567 . . . . 62.02 110.68 179.059 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.466 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 3.0 tm? -54.77 -49.7 70.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 73.14 109.951 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -64.84 -30.13 71.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.48 -0.327 . . . . 55.21 111.112 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.576 HD23 ' HB2' ' A' ' 89' ' ' LEU . 5.6 mp -69.22 -35.83 76.59 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.462 -0.335 . . . . 72.13 111.401 -179.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.554 HD21 HD11 ' A' ' 5' ' ' ILE . 1.5 pp -86.13 -22.48 27.04 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.83 -0.348 . . . . 73.23 111.373 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 79' ' ' LEU . 7.8 mm-40 -78.31 -40.37 36.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.269 0.557 . . . . 54.41 110.357 176.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -91.99 -16.29 26.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.657 -0.701 . . . . 75.1 110.49 -177.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 64.88 44.86 3.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.254 -0.885 . . . . 74.05 110.935 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.8 m -80.0 134.86 36.27 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.084 -0.962 . . . . 71.41 109.943 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -67.0 -3.35 6.93 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.78 0.659 . . . . 72.34 112.78 -173.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.413 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -63.38 -40.57 97.59 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 121.056 -0.257 . . . . 62.3 111.193 -176.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.622 HD22 ' HB3' ' A' ' 78' ' ' LEU . 12.2 tp -102.55 -13.59 17.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.511 0.672 . . . . 63.32 110.688 175.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.0 mt -113.67 21.1 15.35 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 112.881 0.696 . . . . 75.44 112.881 -170.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -70.1 160.81 31.34 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.069 0.461 . . . . 50.13 111.628 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.2 m -84.78 147.18 26.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.654 -0.703 . . . . 74.44 110.32 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.4 p -148.7 -178.85 6.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.284 -0.416 . . . . 43.4 110.586 -175.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -108.96 77.42 1.07 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.299 -0.409 . . . . 64.4 110.839 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.621 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 25.6 m . . . . . 0 C--N 1.329 -0.304 0 C-N-CA 120.268 -0.573 . . . . 71.32 110.978 166.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.208 0 CA-C-O 121.209 0.528 . . . . 64.31 110.4 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -62.89 -36.0 81.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.607 -0.724 . . . . 72.4 110.001 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.53 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 39.0 m170 -68.03 -40.21 82.95 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.357 -0.383 . . . . 73.25 110.192 177.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -62.47 -48.33 80.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 72.14 110.698 -178.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.4 HG22 HD12 ' A' ' 13' ' ' LEU . 13.0 p -63.98 -35.86 74.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 65.01 111.084 -177.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -65.96 -40.27 91.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.64 -0.504 . . . . 75.32 109.64 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 11.5 mm100 -56.48 -50.6 71.29 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.676 -0.693 . . . . 63.5 112.566 -170.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.424 ' H ' ' HG ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -87.28 -36.94 17.62 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.298 -0.41 . . . . 61.42 111.724 -174.551 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.4 HD12 HG22 ' A' ' 9' ' ' VAL . 23.5 mt -64.58 -44.49 90.49 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 111.9 0.333 . . . . 54.32 111.9 -178.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -21.64 63.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.069 0.461 . . . . 73.13 110.215 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -72.46 -45.61 58.75 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.797 -0.638 . . . . 74.25 110.28 175.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -66.82 -22.04 66.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.472 -0.785 . . . . 55.35 109.917 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.555 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 105.36 37.11 2.71 Favored Glycine 0 N--CA 1.438 -1.169 0 CA-C-N 115.395 -0.82 . . . . 54.44 112.339 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.6 t -109.95 138.64 46.04 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.427 -0.509 . . . . 73.44 110.07 173.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.422 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.1 OUTLIER -122.49 -0.18 9.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.062 0.458 . . . . 73.33 110.338 172.47 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.572 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 24.3 t70 -105.69 84.13 2.03 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.861 -0.608 . . . . 62.12 111.4 -171.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -166.4 150.55 7.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.279 -0.873 . . . . 73.23 110.644 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.56 177.84 43.5 Favored Glycine 0 C--O 1.228 -0.24 0 C-N-CA 121.202 -0.523 . . . . 54.02 112.145 -179.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.8 p -105.79 152.68 22.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.88 0.34 . . . . 65.35 111.344 -178.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.72 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 20.5 ptmt . . . . . 0 C--N 1.325 -0.463 0 CA-C-O 120.859 0.361 . . . . 70.43 110.466 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 N--CA 1.45 -0.452 0 CA-C-O 120.896 0.379 . . . . 63.33 110.324 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -83.12 103.55 12.63 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.803 -0.635 . . . . 75.42 110.019 175.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.77 78.31 1.92 Allowed Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.821 -0.627 . . . . 73.15 111.876 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.563 ' CE2' HG23 ' A' ' 67' ' ' VAL . 7.0 m-85 -69.5 140.89 54.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.581 0.229 . . . . 63.54 110.403 178.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.574 ' HB3' HD12 ' A' ' 58' ' ' ILE . 5.0 m -155.28 158.73 39.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.845 0.355 . . . . 62.54 110.81 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.597 ' CG ' HD21 ' A' ' 78' ' ' LEU . 42.8 t80 -116.53 126.61 53.58 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.721 -0.474 . . . . 71.52 109.721 174.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.72 ' CE2' ' HD2' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -92.37 142.82 27.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.168 -0.924 . . . . 74.13 111.957 -176.35 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.524 ' HB3' HG23 ' A' ' 59' ' ' VAL . 12.4 tpt180 -147.87 107.18 3.9 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.949 -1.023 . . . . 74.34 109.553 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.572 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 5.0 m-70 59.32 27.03 16.0 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 111.905 0.335 . . . . 73.15 111.905 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.8 -1.6 85.38 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.228 -0.987 . . . . 73.53 112.418 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -105.23 174.0 6.06 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.353 -0.61 . . . . 74.44 109.353 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.574 HD12 ' HB3' ' A' ' 51' ' ' SER . 14.2 mm -109.11 125.63 66.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 116.071 -0.513 . . . . 63.04 110.393 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.632 HG11 HD13 ' A' ' 89' ' ' LEU . 75.2 t -101.38 -45.06 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.957 -0.565 . . . . 74.1 110.009 175.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.67 140.74 48.91 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.098 -0.501 . . . . 74.34 110.478 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.488 ' HD1' ' HG ' ' A' ' 51' ' ' SER . 72.9 t80 -144.68 135.5 24.81 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.596 -0.52 . . . . 73.22 109.596 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.419 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -156.6 97.33 0.16 Allowed Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 111.497 -0.641 . . . . 62.43 111.497 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -97.65 124.7 42.04 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.565 0.221 . . . . 62.32 110.695 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.0 t -148.73 162.72 39.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.25 -0.432 . . . . 60.41 110.077 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -73.33 -14.95 61.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.011 0.434 . . . . 43.13 110.212 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' A' ' 66' ' ' LYS . 22.9 ttmm -114.37 129.61 56.65 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.044 -0.525 . . . . 63.44 110.481 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.563 HG23 ' CE2' ' A' ' 50' ' ' PHE . 4.2 p -55.41 -46.99 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 115.882 -0.599 . . . . 72.35 111.233 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.73 97.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 75.01 111.868 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 72' ' ' TYR . 65.9 t30 -70.51 -48.91 53.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.959 0.409 . . . . 62.5 110.281 -178.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.548 ' HA ' HD12 ' A' ' 73' ' ' ILE . . . -54.28 -46.76 72.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.438 -0.801 . . . . 73.15 110.81 177.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.55 ' HG2' ' HE2' ' A' ' 75' ' ' LYS . 15.2 ttpt -63.64 -40.65 97.41 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.475 -1.238 . . . . 72.04 110.292 -179.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.474 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 34.8 t80 -55.6 -48.81 74.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.712 -0.676 . . . . 72.13 110.393 175.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.563 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 54.0 mt -56.38 -56.08 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.383 -0.826 . . . . 71.41 111.567 -177.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.9 ptt? -60.96 -39.96 91.51 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.624 -0.262 . . . . 65.3 110.936 -178.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.566 ' O ' HG13 ' A' ' 5' ' ' ILE . 49.6 mttm -60.56 -45.9 92.22 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.865 0.364 . . . . 73.22 110.705 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 15.4 mm100 -60.99 -24.18 65.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.061 -0.518 . . . . 74.13 111.006 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 10.1 mmt180 -66.46 -64.66 0.81 Allowed 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.279 -0.419 . . . . 70.43 111.037 -178.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.655 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -62.12 -34.09 75.69 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 119.891 -0.724 . . . . 55.22 110.084 179.209 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.594 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 10.2 tp -52.74 -58.89 5.38 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.156 0.503 . . . . 73.41 110.677 177.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -58.98 -28.98 66.85 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.636 -0.711 . . . . 74.32 110.336 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 91.8 mt -70.94 -39.74 72.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.479 -0.328 . . . . 74.25 110.938 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 79' ' ' LEU . 1.3 pp -81.13 -21.98 39.41 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.698 0.285 . . . . 75.44 111.142 178.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -79.55 -38.02 35.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.152 0.501 . . . . 51.34 110.739 173.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -88.32 -18.64 28.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.851 -0.613 . . . . 72.41 110.197 -176.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.407 ' HA ' ' CD1' ' A' ' 90' ' ' LEU . 3.1 mmmp? 65.03 37.53 6.73 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.359 -0.837 . . . . 75.12 110.276 -177.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.8 m -76.45 146.19 38.75 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.242 -0.89 . . . . 64.12 110.131 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.454 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 3.3 p-10 -75.62 -1.56 25.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.007 0.373 . . . . 54.43 112.007 -173.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -65.62 -38.86 90.61 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.706 0.262 . . . . 60.31 111.706 -175.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.655 HD22 ' HB3' ' A' ' 78' ' ' LEU . 9.7 tp -110.13 -17.62 13.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.47 0.652 . . . . 60.32 110.678 178.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.409 HD11 ' HA ' ' A' ' 82' ' ' LEU . 13.9 mt -108.92 15.52 23.38 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 112.711 0.634 . . . . 72.22 112.711 -170.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.454 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 31.9 p90 -67.54 156.83 35.77 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.937 0.398 . . . . 73.11 110.618 178.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.6 m -83.92 139.05 32.85 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.019 -0.537 . . . . 71.25 110.101 177.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.9 p -132.84 177.23 7.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.036 -0.529 . . . . 64.23 109.771 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -109.83 68.95 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.927 0.343 . . . . 71.22 111.927 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 68.3 m . . . . . 0 CA--C 1.533 0.303 0 C-N-CA 119.904 -0.719 . . . . 75.31 111.095 167.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.713 HD11 HD21 ' A' ' 82' ' ' LEU . 6.7 tp . . . . . 0 CA--C 1.519 -0.228 0 N-CA-C 109.685 -0.487 . . . . 71.43 109.685 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.63 -40.55 95.25 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.277 -0.874 . . . . 75.41 109.525 -178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.68 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 28.1 m80 -60.86 -49.9 75.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.944 -0.571 . . . . 73.11 110.185 174.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -58.57 -50.6 73.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 53.31 111.233 -175.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.587 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 7.2 p -63.1 -39.48 85.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.131 -0.486 . . . . 72.52 111.575 -176.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.412 ' CD1' HG13 ' A' ' 9' ' ' VAL . 12.5 m-30 -69.33 -32.76 72.07 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.408 -0.517 . . . . 71.5 109.756 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.68 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 26.6 mm-40 -57.75 -49.34 76.89 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.957 -0.565 . . . . 52.23 111.942 -175.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -89.22 -43.18 11.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.267 -0.424 . . . . 71.34 111.8 -175.808 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.497 ' H ' HD12 ' A' ' 12' ' ' LEU . 17.4 mt -60.27 -45.4 93.43 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.604 0.594 . . . . 75.53 112.604 -176.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.581 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 17.3 pttp -69.33 -24.47 63.92 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.663 -0.415 . . . . 73.53 110.19 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -75.47 -34.4 60.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.749 -0.66 . . . . 60.23 110.139 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 12.1 mt-30 -72.38 -9.73 58.89 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.481 -0.781 . . . . 74.32 110.511 177.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.504 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 95.95 27.7 10.04 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.658 -0.782 . . . . 72.24 111.951 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.581 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 5.8 t -107.88 140.33 41.16 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.573 -0.451 . . . . 75.41 110.127 174.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -126.47 -4.7 6.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.889 0.376 . . . . 70.32 111.118 173.462 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.425 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 18.8 t70 -97.79 85.85 3.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.131 0.491 . . . . 54.14 111.014 -174.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -169.22 172.98 6.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.352 -0.84 . . . . 71.54 110.344 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.31 164.4 14.58 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.026 -0.607 . . . . 73.51 112.004 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.6 p -94.89 136.82 34.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.888 0.344 . . . . 75.33 111.215 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.522 ' HE2' ' HB3' ' A' ' 51' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.775 0 N-CA-C 109.081 -0.711 . . . . 72.35 109.081 175.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 N--CA 1.447 -0.598 0 CA-C-O 120.877 0.37 . . . . 70.13 110.627 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.431 ' CE2' ' HB ' ' A' ' 67' ' ' VAL . 4.1 m-30 -83.56 104.17 13.47 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.967 -0.753 . . . . 73.32 108.967 173.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.35 76.81 1.78 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.743 -0.741 . . . . 63.21 111.876 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.604 ' CE2' HG23 ' A' ' 67' ' ' VAL . 4.4 m-85 -78.43 136.57 37.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.878 0.37 . . . . 65.31 110.337 177.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.586 ' OG ' HD12 ' A' ' 58' ' ' ILE . 31.8 t -164.02 153.87 14.6 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.141 -0.481 . . . . 63.3 110.111 -178.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.635 ' CG ' HD21 ' A' ' 78' ' ' LEU . 49.4 t80 -111.12 125.83 54.2 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.587 -0.278 . . . . 62.45 110.425 176.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.426 ' CZ ' HD11 ' A' ' 58' ' ' ILE . 9.2 m-85 -103.54 136.19 43.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.175 -0.921 . . . . 72.4 111.288 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -139.53 116.46 10.96 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.707 -0.849 . . . . 75.0 108.707 167.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.425 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 14.0 m-70 60.82 26.96 16.78 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.864 0.364 . . . . 50.02 111.498 -178.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.97 2.66 90.62 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.506 -0.855 . . . . 73.35 112.566 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -93.88 166.03 12.38 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 109.667 -0.494 . . . . 71.43 109.667 176.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.586 HD12 ' OG ' ' A' ' 51' ' ' SER . 32.2 mm -109.46 108.53 25.58 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-N 115.467 -0.788 . . . . 71.22 110.263 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.721 HG11 HD13 ' A' ' 89' ' ' LEU . 88.5 t -88.92 -35.1 7.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 CA-C-N 114.919 -1.037 . . . . 74.44 109.704 178.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -138.01 145.2 41.57 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.892 -0.595 . . . . 62.33 110.745 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -149.16 128.09 12.64 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.9 -0.407 . . . . 74.41 109.9 175.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.481 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -148.56 105.99 0.32 Allowed Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.79 -0.641 . . . . 70.55 111.601 179.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -106.56 123.91 48.81 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.171 0.51 . . . . 63.11 110.955 -177.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.3 m -151.32 166.21 31.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.056 -0.52 . . . . 71.25 110.296 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -35.62 73.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.454 0.645 . . . . 73.44 109.571 178.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -100.34 131.1 46.46 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.931 -1.032 . . . . 74.21 110.055 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.604 HG23 ' CE2' ' A' ' 50' ' ' PHE . 2.5 p -56.1 -41.8 70.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.821 -0.627 . . . . 74.04 111.478 -178.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.02 86.1 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.063 0.394 . . . . 64.12 112.063 -178.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.33 -46.11 35.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.968 0.413 . . . . 73.43 110.035 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.39 -47.56 78.69 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.486 -0.779 . . . . 64.11 111.037 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.522 ' HE2' HG22 ' A' ' 67' ' ' VAL . 48.4 mtmt -58.45 -46.32 86.8 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 116.082 -0.508 . . . . 75.13 110.601 176.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.417 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 27.5 t80 -52.12 -48.17 64.96 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.372 -0.831 . . . . 74.02 111.441 -175.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.481 ' HB ' ' HA3' ' A' ' 62' ' ' GLY . 33.3 mt -59.06 -52.68 57.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.613 -0.721 . . . . 71.51 111.257 -177.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.469 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.7 ptt? -66.37 -39.64 89.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 72.54 110.967 -177.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.53 ' HA ' HG21 ' A' ' 5' ' ' ILE . 54.7 mttm -57.4 -45.07 84.92 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 120.556 0.217 . . . . 74.11 110.983 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 86.7 mm-40 -59.54 -32.16 70.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 71.51 111.314 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 77' ' ' ARG . 18.6 mmm-85 -60.63 -67.26 0.41 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.974 -0.557 . . . . 74.54 111.552 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.818 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -62.81 -35.1 78.79 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.328 -0.549 . . . . 64.01 110.452 -178.802 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.585 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 13.2 tp -49.8 -60.01 3.3 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.14 0.495 . . . . 72.41 110.94 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -60.29 -26.53 66.58 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.49 -0.777 . . . . 72.1 111.02 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 96.2 mt -72.39 -38.22 68.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.292 -0.413 . . . . 70.13 110.786 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.713 HD21 HD11 ' A' ' 5' ' ' ILE . 2.5 pp -85.36 -25.73 26.91 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 121.079 -0.248 . . . . 74.34 111.078 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 79' ' ' LEU . 25.3 mm-40 -67.84 -49.21 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.188 0.518 . . . . 75.53 110.219 173.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -86.75 -13.81 44.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.585 -0.734 . . . . 63.14 110.594 -176.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 85' ' ' LYS . 13.6 mmmm 64.82 48.13 2.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.417 -0.81 . . . . 74.32 110.344 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.7 m -87.43 134.43 33.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.995 -1.002 . . . . 74.01 110.142 175.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 8.9 p30 -70.28 0.71 5.9 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.853 0.686 . . . . 51.52 112.853 -171.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.486 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.4 mm? -62.47 -35.66 80.02 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.886 -0.325 . . . . 44.43 111.215 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.818 HD22 ' HB3' ' A' ' 78' ' ' LEU . 17.5 tp -107.14 -16.06 14.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.262 0.554 . . . . 71.45 110.387 175.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.42 HD11 ' HA ' ' A' ' 82' ' ' LEU . 13.8 mt -114.64 18.05 16.88 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.558 -0.747 . . . . 74.33 112.666 -168.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.431 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 41.0 p90 -68.55 167.14 15.57 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.308 0.575 . . . . 64.25 111.772 -176.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.4 m -91.21 132.5 36.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.54 -0.754 . . . . 64.21 110.866 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.7 p -133.66 174.74 10.11 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.545 -0.752 . . . . 61.31 109.758 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -111.61 73.01 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.071 0.232 . . . . 72.42 111.371 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 58.9 m . . . . . 0 N--CA 1.455 -0.194 0 C-N-CA 119.998 -0.681 . . . . 55.12 110.572 167.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.688 HG22 ' OE1' ' A' ' 6' ' ' GLU . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.321 0 N-CA-C 111.652 0.241 . . . . 71.13 111.652 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.688 ' OE1' HG22 ' A' ' 5' ' ' ILE . 1.2 mp0 -65.56 -31.2 72.12 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.456 -0.572 . . . . 73.32 109.456 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.717 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 55.2 m80 -63.34 -47.8 80.66 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.748 -0.66 . . . . 73.45 109.84 173.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.557 ' HG2' ' HA ' ' A' ' 5' ' ' ILE . 60.4 mmtt -59.17 -49.69 76.88 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.039 -0.528 . . . . 73.15 111.394 -176.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.418 HG11 ' CE2' ' A' ' 52' ' ' PHE . 7.8 p -63.92 -34.08 66.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.956 -0.566 . . . . 73.03 111.292 -176.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.488 ' CD1' ' HE1' ' A' ' 21' ' ' PHE . 13.4 m-30 -71.99 -32.1 66.9 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.928 -0.397 . . . . 75.04 109.928 177.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.717 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 28.7 mm-40 -59.13 -51.29 70.64 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.032 -0.531 . . . . 71.0 111.837 -174.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.526 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -90.42 -40.14 12.23 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.964 -0.562 . . . . 70.02 112.122 -173.095 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.615 HD21 ' O ' ' A' ' 89' ' ' LEU . 19.6 mt -63.6 -44.2 94.7 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.256 0.465 . . . . 62.35 112.256 -176.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 49.2 pttt -67.25 -19.98 65.6 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.715 -0.394 . . . . 74.34 110.086 179.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -76.81 -45.07 30.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 75.43 110.258 176.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -64.43 -20.02 65.89 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.477 -0.783 . . . . 73.33 110.847 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.606 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 109.56 35.47 2.25 Favored Glycine 0 N--CA 1.438 -1.182 0 C-N-CA 120.653 -0.784 . . . . 64.2 111.939 -179.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.596 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.6 t -121.62 138.35 54.36 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.739 -0.384 . . . . 64.44 110.671 174.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.401 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.1 OUTLIER -124.85 -8.98 7.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.103 0.478 . . . . 74.54 109.898 167.666 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.628 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 18.1 t0 -87.34 81.43 7.89 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.605 0.717 . . . . 74.22 111.356 -177.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.488 ' HE1' ' CD1' ' A' ' 10' ' ' TYR . 13.2 p90 -164.29 154.87 14.99 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.733 -1.121 . . . . 73.25 109.903 175.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.95 -176.75 45.35 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.673 -0.775 . . . . 73.24 111.962 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.2 p -107.86 151.3 25.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.805 0.302 . . . . 70.52 111.257 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.796 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 17.2 ptmt . . . . . 0 C--N 1.325 -0.471 0 CA-C-O 120.994 0.426 . . . . 72.42 110.584 175.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 N--CA 1.445 -0.688 0 CA-C-O 121.148 0.499 . . . . 74.05 110.623 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 17.9 m-30 -77.08 106.88 9.06 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.268 -0.878 . . . . 75.35 110.173 178.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.4 72.31 2.83 Favored Glycine 0 N--CA 1.441 -0.984 0 C-N-CA 120.627 -0.796 . . . . 62.13 111.187 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.532 ' HE2' HG23 ' A' ' 67' ' ' VAL . 3.5 m-85 -64.29 134.98 55.76 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.607 -0.516 . . . . 75.52 109.607 177.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.552 ' HB3' HD12 ' A' ' 58' ' ' ILE . 6.2 m -152.01 161.54 42.48 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 120.777 0.322 . . . . 60.44 110.231 -178.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.55 ' CG ' HD21 ' A' ' 78' ' ' LEU . 34.0 t80 -117.22 127.37 54.03 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.273 -0.421 . . . . 74.14 110.023 175.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.796 ' CE2' ' HD2' ' A' ' 24' ' ' LYS . 0.8 OUTLIER -94.1 140.99 29.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.839 -1.073 . . . . 73.31 112.037 -176.663 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.47 ' HB3' HG23 ' A' ' 59' ' ' VAL . 16.4 tpt180 -146.16 106.21 4.01 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.982 -1.008 . . . . 61.05 109.295 177.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.628 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 7.9 m-70 59.41 28.51 17.89 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 111.973 0.36 . . . . 64.04 111.973 -178.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.58 1.34 85.67 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.414 -0.898 . . . . 54.02 112.464 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -102.72 172.78 6.65 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.416 -0.587 . . . . 62.51 109.416 176.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' A' ' 51' ' ' SER . 13.0 mm -112.65 113.57 44.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-N 116.001 -0.545 . . . . 71.43 110.292 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.654 HG11 HD13 ' A' ' 89' ' ' LEU . 78.7 t -91.45 -37.11 8.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.752 -0.658 . . . . 74.24 110.397 178.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -127.34 144.92 50.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.141 -0.481 . . . . 74.54 110.729 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.576 ' OH ' ' HE3' ' A' ' 63' ' ' LYS . 68.2 t80 -146.5 135.51 22.52 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.429 0.456 . . . . 71.3 110.165 177.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.416 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -156.3 107.74 0.34 Allowed Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.641 -0.583 . . . . 72.44 111.641 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.576 ' HE3' ' OH ' ' A' ' 61' ' ' TYR . 36.8 ttmt -101.05 126.17 47.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.844 0.354 . . . . 73.34 111.027 -178.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.498 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 62.2 m -156.03 161.15 40.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.937 -0.574 . . . . 53.22 110.04 176.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -87.36 -13.28 43.91 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.804 -0.813 . . . . 70.31 108.804 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.426 ' HB2' ' CB ' ' A' ' 69' ' ' ASN . 33.7 mmtp -92.01 116.96 29.37 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.91 -1.041 . . . . 72.31 108.43 171.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.631 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 14.9 p -57.09 -39.72 68.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.75 0.309 . . . . 60.22 110.579 -178.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.15 -39.0 75.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.473 -0.331 . . . . 64.53 111.199 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' CB ' ' HB2' ' A' ' 66' ' ' LYS . 6.2 t30 -68.3 -43.21 78.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.979 0.419 . . . . 71.14 109.917 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -59.99 -50.09 75.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.604 -0.725 . . . . 63.13 111.265 178.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.631 ' HG3' ' O ' ' A' ' 67' ' ' VAL . 46.5 mtmt -59.54 -40.58 87.7 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.118 -0.492 . . . . 62.35 110.163 177.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -55.94 -49.39 73.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.367 -0.833 . . . . 74.45 110.679 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.447 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 41.7 mt -58.0 -53.73 41.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.652 -0.703 . . . . 73.1 111.407 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.469 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 3.0 ptt? -63.53 -39.22 93.84 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.836 -0.346 . . . . 53.24 110.743 -177.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.576 ' HA ' HG21 ' A' ' 5' ' ' ILE . 59.6 mttm -60.37 -44.31 95.74 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.527 0.203 . . . . 72.53 110.845 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -64.73 -21.66 66.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.513 -0.312 . . . . 73.12 111.328 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 37.6 mmt180 -64.84 -63.86 1.01 Allowed 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.685 -0.234 . . . . 75.2 110.547 177.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.853 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -63.59 -33.62 76.02 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 120.365 -0.534 . . . . 72.02 110.234 178.863 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -50.57 -53.4 30.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.779 -0.646 . . . . 72.04 110.235 178.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -66.56 -27.99 68.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.456 -0.338 . . . . 61.13 111.237 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 91.3 mt -72.29 -41.05 67.08 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 121.193 -0.203 . . . . 71.14 111.113 -178.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.601 HD21 HD11 ' A' ' 5' ' ' ILE . 1.8 pp -79.11 -18.52 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.067 0.46 . . . . 61.11 110.994 178.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -79.75 -50.07 11.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.074 -0.512 . . . . 73.42 110.556 174.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -85.27 -13.07 50.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.604 -0.726 . . . . 73.31 110.434 -174.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.4 ' HA ' ' CD1' ' A' ' 90' ' ' LEU . 48.6 mmtm 67.61 40.21 2.59 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.359 -0.837 . . . . 70.44 111.442 177.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.9 m -81.0 140.42 35.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.544 -0.753 . . . . 42.11 109.777 177.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -68.33 -9.96 51.52 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.339 0.496 . . . . 75.02 112.339 -172.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.504 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -56.13 -38.18 70.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 111.977 0.362 . . . . 64.45 111.977 -175.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.853 HD22 ' HB3' ' A' ' 78' ' ' LEU . 27.2 tp -110.89 -13.12 14.18 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.435 0.636 . . . . 73.15 110.825 177.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 85' ' ' LYS . 16.6 mt -112.84 13.18 19.64 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 113.008 0.744 . . . . 71.05 113.008 -169.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -67.72 158.47 32.24 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.061 0.458 . . . . 74.14 110.79 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.0 t -90.98 145.98 24.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.769 -0.65 . . . . 64.45 109.7 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 19.5 p -142.49 178.66 7.45 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.685 -0.689 . . . . 70.33 109.346 -176.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -110.9 71.91 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.464 0.174 . . . . 71.42 111.064 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.606 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 24.3 m . . . . . 0 C--O 1.232 0.178 0 C-N-CA 120.325 -0.55 . . . . 71.43 110.183 169.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.577 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 111.751 0.278 . . . . 74.24 111.751 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -64.92 -41.87 95.18 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.702 -0.399 . . . . 62.44 110.252 -176.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -63.96 -34.65 78.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.141 -0.481 . . . . 75.34 109.845 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 59.2 mmtt -63.38 -50.37 70.16 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.775 -0.454 . . . . 72.35 109.775 177.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.726 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 47.5 t -55.14 -41.81 62.02 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 CA-C-N 115.833 -0.621 . . . . 71.21 110.618 179.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.558 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 11.0 m-30 -62.78 -52.01 64.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.157 -0.474 . . . . 73.31 109.772 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.476 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 11.2 mm100 -49.48 -45.44 46.9 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 113.45 0.907 . . . . 61.5 113.45 -172.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.57 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -89.97 -43.98 10.19 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 112.111 0.411 . . . . 74.14 112.111 -175.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.57 ' H ' HD12 ' A' ' 12' ' ' LEU . 26.7 mt -65.01 -43.29 93.0 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.132 0.419 . . . . 65.34 112.132 -175.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.58 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 62.9 pttt -64.25 -23.65 67.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.276 0.56 . . . . 63.21 110.108 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -79.77 -41.8 25.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.564 -0.743 . . . . 73.34 110.808 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.49 HE22 ' HB3' ' A' ' 90' ' ' LEU . 6.3 mt-30 -65.2 -34.52 78.57 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.552 0.691 . . . . 72.01 109.842 179.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.59 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 126.37 39.9 0.39 Allowed Glycine 0 N--CA 1.435 -1.381 0 CA-C-N 115.084 -0.962 . . . . 71.4 112.05 -178.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.58 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.8 t -125.96 139.18 53.65 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.28 -0.568 . . . . 64.51 111.073 172.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -124.17 -6.63 7.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.512 0.672 . . . . 75.52 109.553 168.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.597 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 25.4 t70 -92.4 81.01 4.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.443 -0.799 . . . . 71.23 110.959 -174.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.591 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 18.3 p90 -166.65 160.03 14.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.265 -0.88 . . . . 75.31 110.65 177.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.44 167.53 32.6 Favored Glycine 0 CA--C 1.517 0.211 0 N-CA-C 111.71 -0.556 . . . . 42.14 111.71 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.5 p -94.01 151.02 19.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 117.057 0.429 . . . . 73.22 111.431 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.569 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.872 -0.604 . . . . 75.52 109.814 173.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 . . . . . 0 N--CA 1.447 -0.589 0 CA-C-O 120.941 0.4 . . . . 65.14 110.273 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.479 ' CE2' ' HB ' ' A' ' 67' ' ' VAL . 21.2 m-30 -80.54 110.09 15.68 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.818 -0.628 . . . . 64.12 110.097 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.5 72.34 2.85 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.916 -0.659 . . . . 72.43 111.852 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.579 ' CE2' HG23 ' A' ' 67' ' ' VAL . 12.3 m-85 -69.31 134.52 49.2 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.106 -0.331 . . . . 65.3 110.106 175.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.658 ' HG ' ' HD1' ' A' ' 61' ' ' TYR . 1.9 m -154.19 161.14 42.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.785 0.326 . . . . 62.45 110.687 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.726 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 32.0 t80 -116.67 123.79 48.14 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.147 -0.479 . . . . 74.51 110.111 173.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.569 ' CE1' ' HG2' ' A' ' 24' ' ' LYS . 5.3 m-85 -95.86 134.71 38.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.413 -0.812 . . . . 71.54 111.765 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.591 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -135.04 108.41 7.81 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.43 -0.804 . . . . 64.44 108.974 171.445 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.597 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 13.1 m-70 62.78 30.29 16.72 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.952 0.406 . . . . 73.24 111.845 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.92 -4.74 84.71 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.534 -0.841 . . . . 51.42 112.563 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -97.55 169.81 9.46 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.42 -0.585 . . . . 75.05 109.42 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.42 HD12 ' HB3' ' A' ' 51' ' ' SER . 20.7 mm -105.73 118.57 53.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.398 0.618 . . . . 71.25 110.944 -178.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.59 HG11 HD13 ' A' ' 89' ' ' LEU . 84.7 t -94.76 -41.68 12.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.407 -0.815 . . . . 63.12 109.891 176.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.522 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -129.71 148.34 51.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.939 -0.573 . . . . 23.31 111.138 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.658 ' HD1' ' HG ' ' A' ' 51' ' ' SER . 59.7 t80 -146.29 135.07 22.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.069 -0.514 . . . . 73.41 109.771 176.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -151.46 97.87 0.18 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.572 -0.611 . . . . 24.11 111.572 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 37.9 ttpt -98.55 123.93 43.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.698 0.285 . . . . 74.43 110.655 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.522 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 57.4 m -153.47 160.15 42.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.803 0.335 . . . . 74.13 110.769 178.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.469 ' HG3' ' HG2' ' A' ' 66' ' ' LYS . 6.9 ptp180 -78.11 -20.05 52.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.271 0.558 . . . . 73.13 109.587 176.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.608 ' HE2' ' HA ' ' A' ' 66' ' ' LYS . 9.8 mmpt? -102.56 122.78 45.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.47 -0.786 . . . . 73.31 108.988 175.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.579 HG23 ' CE2' ' A' ' 50' ' ' PHE . 3.9 p -55.81 -41.17 65.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 O-C-N 123.177 0.298 . . . . 73.3 111.262 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.9 97.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.322 -0.399 . . . . 64.43 111.116 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -68.87 -43.98 74.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 63.0 110.249 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.522 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -59.07 -49.36 78.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.63 -0.714 . . . . 72.32 111.197 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.516 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 49.1 mtmt -59.28 -42.7 91.89 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 115.982 -0.554 . . . . 63.32 110.12 177.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -55.5 -46.78 76.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.446 -0.797 . . . . 52.14 110.94 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.515 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 54.7 mt -60.37 -56.41 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.455 -0.793 . . . . 74.34 111.366 -177.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.546 ' SD ' ' HB3' ' A' ' 50' ' ' PHE . 3.4 ptt? -62.51 -39.81 94.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.315 -0.402 . . . . 75.0 110.898 -176.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.577 ' HA ' HG21 ' A' ' 5' ' ' ILE . 63.7 mttm -60.83 -45.87 92.79 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.51 0.195 . . . . 71.13 111.08 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.416 ' HA ' ' HB3' ' A' ' 79' ' ' LEU . 71.4 mm-40 -63.2 -22.02 66.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.422 -0.354 . . . . 62.01 111.594 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.535 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 21.7 mmm180 -65.06 -62.24 1.67 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.264 -0.273 . . . . 65.51 110.264 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.84 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -64.96 -33.58 76.38 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.606 -0.438 . . . . 63.04 110.68 177.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.416 ' HB3' ' HA ' ' A' ' 76' ' ' GLN . 3.1 tm? -52.77 -49.74 64.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.926 -0.579 . . . . 74.32 109.867 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -32.84 74.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.92 -0.582 . . . . 74.41 110.006 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 89.7 mt -69.94 -37.56 75.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.956 -0.566 . . . . 61.44 111.343 -176.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.528 HD21 HD11 ' A' ' 5' ' ' ILE . 1.5 pp -82.12 -24.62 35.03 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.945 -0.302 . . . . 63.33 111.414 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -68.75 -45.12 72.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.482 0.658 . . . . 75.12 110.237 173.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -89.93 -17.88 27.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.251 -0.886 . . . . 73.41 110.832 -174.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.45 ' HA ' ' CD1' ' A' ' 90' ' ' LEU . 14.6 mmmm 68.71 39.49 1.98 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.316 -0.856 . . . . 73.33 110.748 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.8 m -75.83 141.33 42.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.525 -0.761 . . . . 51.2 109.816 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 7.4 p30 -69.79 -6.25 30.96 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.216 0.45 . . . . 74.23 112.216 -174.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.445 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -60.39 -34.06 73.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.941 0.401 . . . . 71.15 111.394 -174.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.84 HD22 ' HB3' ' A' ' 78' ' ' LEU . 29.1 tp -109.65 -23.77 11.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.274 0.559 . . . . 75.43 110.438 175.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.49 ' HB3' HE22 ' A' ' 16' ' ' GLN . 7.5 mt -111.88 21.1 16.34 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.584 -0.735 . . . . 64.35 112.485 -166.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 28.5 p90 -67.73 159.13 30.78 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.149 0.499 . . . . 74.35 111.253 -178.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.8 p -85.71 131.68 34.28 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.442 -0.799 . . . . 71.54 111.38 -176.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 18.9 p -135.55 171.83 13.88 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.992 -1.004 . . . . 74.12 109.332 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -111.27 66.37 0.63 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.899 -0.321 . . . . 74.21 111.144 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.59 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 24.4 m . . . . . 0 CA--C 1.529 0.163 0 C-N-CA 120.201 -0.6 . . . . 55.35 110.598 172.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.579 ' SD ' ' HD2' ' A' ' 8' ' ' LYS . 65.6 mtt . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 109.448 -0.575 . . . . 71.21 109.448 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -133.17 122.5 24.11 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.414 0.524 . . . . 71.44 112.414 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.86 -117.82 4.87 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 115.033 0.773 . . . . 64.33 115.033 163.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.435 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 3.4 p30 -54.12 110.49 0.61 Allowed 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.752 1.019 . . . . 72.03 113.752 -168.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.601 HG21 ' HA ' ' A' ' 75' ' ' LYS . 5.0 tp -70.27 -34.61 59.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.053 -0.521 . . . . 73.24 110.769 -177.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.46 ' OE2' HG22 ' A' ' 5' ' ' ILE . 1.9 mp0 -59.52 -45.71 90.97 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 110.06 -0.348 . . . . 75.22 110.06 -176.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.595 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 27.3 m170 -61.12 -41.23 96.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.057 -0.519 . . . . 75.4 110.498 178.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.579 ' HD2' ' SD ' ' A' ' 1' ' ' MET . 30.7 mmtt -61.59 -50.02 74.28 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 109.652 -0.499 . . . . 62.42 109.652 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.768 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 58.0 t -52.29 -48.44 44.12 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 CA-C-N 115.733 -0.667 . . . . 64.43 110.68 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.591 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 13.4 m-30 -63.1 -48.24 79.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.024 -0.534 . . . . 71.41 109.734 -178.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 14.1 mm100 -48.31 -45.81 35.52 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.917 0.71 . . . . 71.22 112.917 -173.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.513 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -92.5 -44.08 8.83 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.701 -0.4 . . . . 63.32 111.735 -177.311 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.56 HD22 ' NH2' ' A' ' 54' ' ' ARG . 16.0 mt -62.36 -46.09 90.22 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.783 0.66 . . . . 74.5 112.783 -175.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.659 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 20.3 pttp -65.31 -22.65 66.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.284 0.564 . . . . 64.0 109.839 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.58 -17.65 28.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.527 -0.761 . . . . 73.42 111.119 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 16.7 mt-30 -80.65 -9.7 59.77 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 121.551 0.691 . . . . 64.45 109.473 173.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.687 ' HA3' ' HD2' ' A' ' 96' ' ' LYS . . . 94.83 35.79 5.74 Favored Glycine 0 N--CA 1.435 -1.404 0 CA-C-N 115.124 -0.944 . . . . 61.21 111.315 -175.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.659 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 4.9 t -119.74 140.6 50.45 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.541 -0.464 . . . . 73.11 110.895 174.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.437 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -127.64 -6.32 5.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.114 0.483 . . . . 53.42 110.701 170.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -94.39 83.9 4.26 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.92 -0.582 . . . . 72.04 111.087 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.678 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 14.3 p90 -167.56 160.32 12.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.138 -0.937 . . . . 74.21 110.703 176.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.56 170.3 32.19 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.605 -0.598 . . . . 42.41 111.605 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.7 p -93.47 147.53 22.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.323 0.562 . . . . 72.21 111.358 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.495 ' HG3' ' HB2' ' A' ' 51' ' ' SER . 0.0 OUTLIER -116.04 143.3 45.65 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.876 -0.787 . . . . 74.31 108.876 173.304 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.5 m -130.92 90.84 2.96 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.981 0.42 . . . . 64.41 110.25 -178.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.5 p -112.68 143.17 22.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.029 -0.532 . . . . 73.32 109.707 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.8 mt -86.99 126.1 40.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-O 121.267 0.556 . . . . 53.24 110.943 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -110.6 92.92 4.23 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.152 -0.931 . . . . 74.23 109.043 175.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.74 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -76.17 134.93 39.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.332 -0.849 . . . . 74.42 110.546 -178.4 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.5 t -88.33 103.63 13.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.345 0.593 . . . . 74.41 109.601 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.911 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -82.63 90.72 6.85 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.679 0.752 . . . . 75.4 111.067 -175.67 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.7 t -93.58 2.26 56.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.358 -0.837 . . . . 22.24 108.968 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.1 m -90.04 127.69 36.12 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.935 -1.03 . . . . 65.01 110.55 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -87.53 -54.86 4.05 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.313 -0.625 . . . . 61.34 109.313 176.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -133.67 167.45 20.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.364 -0.834 . . . . 74.33 109.061 174.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.1 t -145.19 171.7 14.16 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.911 -0.316 . . . . 70.1 110.96 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.6 mt -105.72 -4.1 21.35 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.285 0.476 . . . . 71.42 112.285 -172.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.565 HD11 ' HB2' ' A' ' 42' ' ' LEU . 1.2 pt? -125.16 -176.19 3.5 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.801 -0.444 . . . . 60.03 109.801 177.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -48.74 -64.28 0.85 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.414 0.626 . . . . 74.12 110.974 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.9 161.92 36.12 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.153 -0.931 . . . . 70.13 109.112 175.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -54.86 96.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.692 0.62 . . . . 60.04 110.595 177.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.565 ' HB2' HD11 ' A' ' 38' ' ' LEU . 66.7 tp -34.5 -60.97 0.41 Allowed 'General case' 0 N--CA 1.465 0.288 0 O-C-N 124.681 1.238 . . . . 70.21 111.662 178.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -147.26 103.26 3.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.67 -0.695 . . . . 72.12 109.392 172.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.548 ' H ' HD23 ' A' ' 44' ' ' LEU . 2.5 pt? -97.87 -177.32 3.72 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.498 -0.556 . . . . 63.22 109.498 175.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.4 m -74.47 96.03 2.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.575 0.702 . . . . 51.22 110.299 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.74 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -105.98 156.95 17.88 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.125 -0.943 . . . . 75.44 110.469 -177.192 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -131.38 139.83 49.55 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.181 -0.463 . . . . 70.24 110.487 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.496 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 5.6 m-30 -81.06 107.25 13.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.017 -0.538 . . . . 74.51 110.034 178.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.74 77.1 2.15 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.762 -0.535 . . . . 71.41 111.762 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.544 ' HE2' HG23 ' A' ' 67' ' ' VAL . 6.7 m-85 -73.05 132.71 43.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.84 0.352 . . . . 74.12 110.098 176.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.495 ' HB2' ' HG3' ' A' ' 24' ' ' LYS . 9.0 m -149.46 153.81 37.85 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.502 -0.317 . . . . 74.2 110.332 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.768 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 37.1 t80 -110.33 124.75 52.26 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.908 -0.405 . . . . 73.22 109.908 174.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.477 ' CE1' ' HG2' ' A' ' 24' ' ' LYS . 3.5 m-85 -99.21 138.24 36.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.279 -0.873 . . . . 72.34 111.035 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.678 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -146.31 102.44 3.6 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.401 -0.963 . . . . 71.11 108.401 176.719 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 63.76 36.04 10.85 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.095 -0.502 . . . . 71.42 111.742 -173.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.28 -3.23 67.54 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.693 -0.765 . . . . 63.41 112.868 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -93.33 169.87 10.05 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.847 -0.427 . . . . 74.41 109.847 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.4 mm -108.07 111.9 37.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 115.556 -0.747 . . . . 72.24 110.162 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.652 HG11 HD13 ' A' ' 89' ' ' LEU . 93.7 t -91.68 -37.51 9.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 114.932 -1.031 . . . . 70.05 109.927 177.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.62 142.92 47.04 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.75 -0.659 . . . . 50.05 110.763 -178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -142.47 133.17 25.39 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.645 -0.502 . . . . 73.21 109.645 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.88 95.23 0.14 Allowed Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 111.713 -0.555 . . . . 71.51 111.713 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 33.5 ttpt -97.6 125.56 42.4 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 120.952 0.406 . . . . 54.52 110.833 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.0 m -151.57 160.57 43.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.151 -0.477 . . . . 71.12 110.476 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -74.59 -26.6 60.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.563 0.697 . . . . 73.31 109.209 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -96.75 124.27 40.68 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.787 -1.097 . . . . 62.41 109.564 177.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.544 HG23 ' HE2' ' A' ' 50' ' ' PHE . 11.6 p -55.51 -40.4 58.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.856 0.36 . . . . 51.3 110.893 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.69 94.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 35.24 111.644 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.434 HD22 ' C ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -68.51 -42.69 78.19 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.638 -0.504 . . . . 70.43 109.638 -178.525 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.73 -48.9 78.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.782 -0.644 . . . . 71.31 110.915 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -60.68 -43.03 98.22 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.972 -0.558 . . . . 72.31 110.57 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -54.42 -48.42 71.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.608 -0.724 . . . . 73.35 111.531 -176.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.514 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 41.1 mt -60.47 -53.06 54.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.669 -0.696 . . . . 62.04 111.323 -176.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.3 ptt? -62.59 -39.5 93.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.391 -0.368 . . . . 65.1 110.542 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.601 ' HA ' HG21 ' A' ' 5' ' ' ILE . 54.6 mttm -56.79 -47.27 80.57 Favored 'General case' 0 C--O 1.227 -0.131 0 CA-C-O 120.749 0.309 . . . . 73.22 110.884 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.42 ' HA ' ' HB3' ' A' ' 79' ' ' LEU . 27.9 mm-40 -69.18 -15.2 63.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.14 -0.482 . . . . 74.23 111.725 -178.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 19.2 mmm-85 -69.4 -64.53 0.86 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.512 -0.181 . . . . 73.15 110.512 177.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.791 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -63.75 -30.84 71.89 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 120.789 -0.364 . . . . 74.15 110.285 178.297 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.42 ' HB3' ' HA ' ' A' ' 76' ' ' GLN . 3.0 tm? -52.79 -48.03 67.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.853 -0.612 . . . . 64.25 109.802 177.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -29.25 68.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.954 -0.566 . . . . 73.11 110.916 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' A' ' 86' ' ' SER . 80.8 mt -73.61 -39.89 64.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.479 -0.328 . . . . 74.35 111.416 -175.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.594 HD21 HD11 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -78.17 -25.96 47.43 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.709 -0.396 . . . . 73.32 111.001 178.018 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -75.74 -43.26 47.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.041 0.448 . . . . 73.14 110.939 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -88.9 -16.15 32.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.723 -0.671 . . . . 71.24 110.663 -175.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm 66.13 43.72 2.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.275 -0.875 . . . . 65.32 111.176 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.514 ' HB2' HD22 ' A' ' 81' ' ' LEU . 9.3 m -81.97 128.27 33.9 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.312 -0.858 . . . . 50.54 108.934 175.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.45 -0.17 3.51 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.171 0.804 . . . . 73.44 113.171 -171.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.527 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.5 mm? -63.08 -35.04 78.92 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.857 0.36 . . . . 72.11 111.33 -176.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' A' ' 78' ' ' LEU . 18.8 tp -105.05 -25.95 12.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.307 0.575 . . . . 73.52 110.614 176.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.509 HD11 ' HA ' ' A' ' 82' ' ' LEU . 12.1 mt -106.25 13.99 28.11 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.331 0.863 . . . . 73.42 113.331 -165.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -70.55 159.78 33.68 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-O 121.289 0.566 . . . . 60.52 111.537 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.8 m -85.32 148.66 25.93 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.01 -0.996 . . . . 44.54 109.805 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 32.0 p -146.4 -176.21 5.08 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.137 -0.483 . . . . 75.44 110.797 -174.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -105.18 40.61 1.49 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 113.187 0.81 . . . . 74.24 113.187 -175.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.676 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 85.0 m -80.5 -3.58 50.61 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 119.192 -1.003 . . . . 72.41 109.939 172.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.687 ' HD2' ' HA3' ' A' ' 17' ' ' GLY . 19.7 ptmt -134.18 -57.5 0.85 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.658 -0.701 . . . . 52.55 110.468 177.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.549 ' CE1' ' HE2' ' A' ' 96' ' ' LYS . 11.1 p90 -160.9 -168.05 1.99 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.98 -0.378 . . . . 61.31 109.98 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.2 m -68.8 -167.22 0.09 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.969 0.89 . . . . 60.33 112.763 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -134.96 170.08 16.42 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 114.744 -1.116 . . . . 71.12 110.098 -171.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.483 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 2.1 tpmt? -143.99 129.14 18.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.726 0.298 . . . . 73.25 110.538 -177.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.556 -0.735 . . . . 65.24 109.912 175.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 121.282 0.563 . . . . 71.04 110.421 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -143.59 -78.9 0.21 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.498 -0.774 . . . . 54.35 108.939 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -110.04 46.65 1.14 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 111.07 -0.812 . . . . 70.34 111.07 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.432 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 8.5 p-10 -136.74 5.33 2.87 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.37 0.507 . . . . 75.43 112.37 -175.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.622 HG21 ' HG2' ' A' ' 75' ' ' LYS . 5.7 tp -67.81 -30.92 50.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.204 -0.665 . . . . 74.53 109.204 177.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -63.66 -41.35 98.2 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.096 -0.956 . . . . 73.41 108.45 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.484 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 8.3 t-80 -60.21 -40.96 91.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.244 -0.889 . . . . 62.31 109.886 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 66.7 mmtt -62.68 -48.74 77.97 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.148 -0.478 . . . . 71.01 110.026 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.776 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 35.8 t -55.23 -43.94 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 115.925 -0.579 . . . . 74.12 110.362 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.439 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 12.5 m-30 -62.08 -51.36 68.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.023 -0.535 . . . . 61.44 109.812 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 12.1 mm100 -46.6 -44.95 18.6 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.218 0.822 . . . . 75.44 113.218 -172.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.424 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -92.15 -42.56 9.84 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.858 -0.337 . . . . 74.03 111.657 -176.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.519 HD12 HG12 ' A' ' 9' ' ' VAL . 20.7 mt -64.15 -45.16 89.69 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.539 0.57 . . . . 63.21 112.539 -176.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.48 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -62.99 -27.32 69.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.192 0.52 . . . . 71.13 109.687 178.637 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -82.58 -23.59 34.36 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.472 -0.785 . . . . 73.2 110.196 -175.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -81.35 -6.98 59.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.508 -0.769 . . . . 71.02 109.303 173.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.605 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 90.73 33.35 8.47 Favored Glycine 0 N--CA 1.439 -1.154 0 CA-C-N 115.333 -0.849 . . . . 74.44 111.8 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 5.0 t -110.72 139.1 46.31 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.642 -0.423 . . . . 71.01 110.165 175.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.43 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -124.2 -9.63 7.59 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.477 0.656 . . . . 71.35 109.617 168.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.426 ' OD1' ' HA ' ' A' ' 55' ' ' HIS . 10.2 t0 -85.05 80.47 9.26 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.111 -0.949 . . . . 72.22 110.822 -175.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -169.75 157.15 6.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.215 -0.902 . . . . 74.34 110.462 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.8 165.47 29.03 Favored Glycine 0 C--O 1.226 -0.389 0 C-N-CA 120.973 -0.632 . . . . 71.34 112.016 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.0 p -91.61 153.17 19.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.958 0.379 . . . . 71.25 111.036 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.525 ' HE3' ' CB ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -134.27 144.6 48.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.865 0.364 . . . . 64.11 110.255 172.73 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.9 t -133.65 94.83 3.36 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.011 -0.54 . . . . 62.03 109.824 177.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.5 p -121.54 136.23 59.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.97 -0.559 . . . . 64.4 109.508 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.1 mt -69.07 128.7 32.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.274 0.559 . . . . 74.31 111.131 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -113.78 97.15 6.23 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 108.76 -0.83 . . . . 72.34 108.76 175.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.53 ' HB2' HD11 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -81.31 148.95 29.15 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.495 -0.775 . . . . 74.13 110.858 -173.779 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.9 t -114.86 139.16 42.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.754 -0.657 . . . . 63.44 109.936 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.819 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -75.43 63.47 1.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.48 0.657 . . . . 71.2 110.925 179.759 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.8 p -91.58 -57.99 2.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.914 -0.585 . . . . 70.32 111.305 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 m -82.67 37.81 0.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.912 -0.586 . . . . 74.11 111.676 -174.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -81.51 62.92 5.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 122.053 0.93 . . . . 72.2 109.858 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.64 22.67 10.5 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.175 -1.417 . . . . 62.34 107.175 176.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.815 HG21 ' HA ' ' A' ' 41' ' ' GLU . 1.3 p -84.67 150.69 24.96 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 113.631 -1.622 . . . . 61.32 112.862 -168.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.1 mt -108.82 -9.49 15.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.459 -0.791 . . . . 73.43 110.898 175.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.574 HD23 ' HB ' ' A' ' 36' ' ' THR . 2.6 pt? -89.76 -169.23 2.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.002 -0.545 . . . . 75.23 110.433 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -49.95 -80.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.811 0.694 . . . . 62.11 111.802 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.24 -165.24 1.07 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.85 -0.614 . . . . 74.21 109.612 176.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.815 ' HA ' HG21 ' A' ' 36' ' ' THR . 4.6 mp0 -81.08 102.76 10.44 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.85 -0.796 . . . . 70.32 108.85 173.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.445 ' H ' HD21 ' A' ' 38' ' ' LEU . 5.4 tt -36.86 -52.92 0.94 Allowed 'General case' 0 N--CA 1.467 0.409 0 O-C-N 124.153 0.908 . . . . 74.34 110.5 175.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -151.55 130.45 12.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.833 -0.621 . . . . 73.34 110.327 171.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 29' ' ' GLU . 1.4 pp -127.88 -178.64 4.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.91 -0.586 . . . . 63.35 110.511 177.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.7 m -77.19 100.76 5.91 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.343 0.592 . . . . 62.4 109.995 176.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -102.78 156.52 17.58 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.406 -0.816 . . . . 62.52 109.488 -179.204 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.553 ' HB3' ' HG2' ' A' ' 63' ' ' LYS . 45.5 m-85 -125.82 149.52 48.56 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.952 0.406 . . . . 64.33 110.684 -178.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -85.91 109.21 18.57 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.821 -0.627 . . . . 71.23 109.662 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.41 74.74 2.45 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.755 -0.657 . . . . 73.34 111.921 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.53 ' HE2' HG23 ' A' ' 67' ' ' VAL . 2.3 m-85 -74.8 133.78 41.89 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.179 -0.304 . . . . 70.31 110.179 177.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.539 ' HB3' HD12 ' A' ' 58' ' ' ILE . 3.0 m -154.5 152.64 30.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.5 -0.318 . . . . 64.45 110.793 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.776 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 26.3 t80 -107.29 119.61 39.87 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 109.286 -0.635 . . . . 72.31 109.286 170.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.513 ' CE1' ' HG2' ' A' ' 24' ' ' LYS . 1.9 m-85 -91.1 144.91 25.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.594 -0.73 . . . . 64.12 111.447 -177.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.463 ' HB3' HG23 ' A' ' 59' ' ' VAL . 13.8 tpt180 -148.73 104.09 3.44 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.96 -1.018 . . . . 71.02 109.728 -178.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.426 ' HA ' ' OD1' ' A' ' 20' ' ' ASP . 8.2 m-70 60.16 25.0 14.32 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.8 0.333 . . . . 73.3 111.653 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.95 -12.48 69.84 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.558 -0.83 . . . . 42.43 112.226 -177.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -90.68 178.09 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.697 -0.483 . . . . 74.52 109.697 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.539 HD12 ' HB3' ' A' ' 51' ' ' SER . 20.9 mm -116.32 119.92 63.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.08 -0.509 . . . . 63.11 110.625 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.652 HG11 HD13 ' A' ' 89' ' ' LEU . 64.7 t -96.57 -39.18 8.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.683 -0.689 . . . . 73.44 110.337 176.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.516 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -130.02 140.84 50.81 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.008 -0.542 . . . . 72.31 110.566 178.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -141.65 145.49 35.03 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.405 -0.361 . . . . 73.55 110.247 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.56 99.38 0.18 Allowed Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 111.431 -0.667 . . . . 75.33 111.431 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.553 ' HG2' ' HB3' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -92.91 115.96 28.61 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.736 -0.468 . . . . 60.35 109.736 177.755 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.487 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 60.6 m -142.88 162.12 36.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.806 0.336 . . . . 61.35 110.857 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.9 mtp-105 -77.75 -21.2 52.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.148 0.499 . . . . 74.32 109.78 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.444 ' HD2' ' HA ' ' A' ' 66' ' ' LYS . 31.0 tptt -109.34 132.94 53.65 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.502 -0.772 . . . . 74.12 110.278 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.53 HG23 ' HE2' ' A' ' 50' ' ' PHE . 7.2 p -53.7 -41.46 47.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.603 -0.726 . . . . 72.33 111.764 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.59 -34.34 53.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.334 -0.394 . . . . 54.53 112.052 -173.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -68.89 -42.28 77.15 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.342 -0.614 . . . . 74.2 109.342 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.487 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -58.12 -44.49 87.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.175 -0.92 . . . . 53.24 110.682 176.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.504 ' HB3' ' CE ' ' A' ' 75' ' ' LYS . 65.2 mttm -55.27 -51.13 67.64 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 115.666 -0.697 . . . . 51.43 110.523 173.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -52.68 -46.79 67.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.103 -0.953 . . . . 73.45 111.365 -174.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.451 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 44.1 mt -61.04 -55.16 26.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.579 -0.737 . . . . 64.32 111.487 -177.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.512 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 3.8 ptt? -63.95 -41.95 97.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.41 -0.359 . . . . 65.24 110.758 -177.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.622 ' HG2' HG21 ' A' ' 5' ' ' ILE . 56.8 mttm -58.55 -45.54 88.73 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 120.626 0.25 . . . . 64.32 111.097 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -64.88 -22.54 67.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.311 -0.404 . . . . 65.32 111.605 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 16.9 mmm180 -64.32 -67.04 0.46 Allowed 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 121.24 -0.184 . . . . 73.32 110.886 177.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.568 HD22 HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -64.4 -31.05 72.1 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.237 -0.585 . . . . 62.51 110.95 179.515 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -53.51 -50.35 65.61 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.741 -0.466 . . . . 44.32 109.741 177.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -66.44 -29.89 70.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.284 -0.417 . . . . 71.2 111.04 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 94.8 mt -70.9 -37.5 72.97 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.502 0.186 . . . . 70.44 111.502 -177.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.575 HD21 HD11 ' A' ' 5' ' ' ILE . 2.0 pp -82.71 -13.14 56.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.345 . . . . 71.51 111.265 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -92.2 -42.81 9.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.109 0.481 . . . . 73.01 110.48 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -83.11 -18.14 40.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.859 -0.609 . . . . 44.21 110.004 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm 66.64 44.94 2.12 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.982 -1.008 . . . . 53.0 111.029 178.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.412 ' HB2' HD22 ' A' ' 81' ' ' LEU . 19.8 m -85.04 139.88 31.42 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.182 -0.917 . . . . 64.12 110.145 176.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -68.01 -9.06 42.74 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.315 0.487 . . . . 64.23 112.315 -174.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.509 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -57.13 -37.81 72.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.76 0.314 . . . . 31.25 111.791 -176.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.652 HD13 HG11 ' A' ' 59' ' ' VAL . 5.3 tp -108.56 -15.33 14.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.438 0.637 . . . . 64.53 110.469 177.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.5 mt -113.0 19.1 17.55 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 112.898 0.703 . . . . 74.05 112.898 -170.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -72.3 158.92 34.92 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.731 -0.388 . . . . 72.42 111.33 -177.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.5 m -82.3 141.76 32.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.74 -0.664 . . . . 52.45 110.275 177.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.8 p -142.79 174.52 10.58 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.371 -0.377 . . . . 64.51 110.841 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.46 ' HB2' ' OG ' ' A' ' 98' ' ' SER . 3.4 t-20 -108.05 73.4 0.89 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.305 -0.407 . . . . 75.23 111.642 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.605 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 73.6 m -101.1 -1.13 34.86 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 119.735 -0.786 . . . . 70.35 110.617 166.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.48 ' CD ' ' HA3' ' A' ' 17' ' ' GLY . 20.4 ptmt -150.98 -47.81 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.841 -0.618 . . . . 75.12 109.849 175.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.448 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 32.7 p90 -160.37 166.8 28.7 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.399 -0.963 . . . . 70.43 108.399 174.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.46 ' OG ' ' HB2' ' A' ' 94' ' ' ASN . 55.3 p -178.34 175.91 1.13 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 123.608 0.568 . . . . 74.31 110.782 173.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.474 ' HE3' ' HB2' ' A' ' 99' ' ' LYS . 18.2 mtmt -101.54 129.19 47.57 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.998 -1.001 . . . . 75.35 110.161 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -78.22 137.11 37.96 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.258 -0.428 . . . . 65.44 109.995 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.411 -0.804 . . . . 75.4 110.083 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.7 mmm . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.727 0.299 . . . . 74.44 110.647 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' HD2' HD21 ' A' ' 79' ' ' LEU . 73.1 mmtt -82.41 97.57 8.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.84 -0.8 . . . . 60.44 108.84 175.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -127.52 -64.84 0.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.219 -0.991 . . . . 52.5 113.096 -177.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -77.96 72.47 4.5 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.649 0.738 . . . . 72.51 110.897 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.635 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -64.7 -32.61 58.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.144 -0.935 . . . . 63.42 109.827 -179.79 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.54 ' O ' ' HD1' ' A' ' 10' ' ' TYR . 1.9 mp0 -56.99 -44.97 83.27 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.567 -0.742 . . . . 74.42 110.292 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.669 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 52.9 m170 -59.33 -42.86 92.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.333 -0.394 . . . . 74.31 110.469 178.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -60.88 -48.65 80.86 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.337 -0.392 . . . . 73.24 111.021 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.651 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 48.9 t -57.81 -39.84 72.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.001 -0.545 . . . . 63.53 110.776 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.54 ' HD1' ' O ' ' A' ' 6' ' ' GLU . 28.4 m-85 -69.0 -39.84 79.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.548 -0.296 . . . . 73.41 110.957 178.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.669 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 24.9 mm-40 -52.43 -45.39 65.96 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.495 0.554 . . . . 75.31 112.495 -175.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.544 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -94.82 -42.79 8.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.452 0.538 . . . . 61.12 112.452 -175.48 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.544 ' H ' HD12 ' A' ' 12' ' ' LEU . 20.1 mt -61.99 -42.39 99.09 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.367 0.506 . . . . 63.11 112.367 -175.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 19.2 pttp -63.54 -29.06 70.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.073 0.464 . . . . 72.33 109.839 178.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.36 -21.18 39.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.747 -0.66 . . . . 75.52 111.188 -178.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -84.52 -1.87 56.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.585 0.707 . . . . 74.53 109.625 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.591 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 90.1 32.17 10.07 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-N 115.19 -0.914 . . . . 70.33 111.921 177.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 5.0 t -114.02 140.4 48.47 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.686 -0.406 . . . . 62.32 110.152 176.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -125.97 -4.39 6.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.295 0.569 . . . . 74.2 110.102 171.075 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -93.39 83.59 4.59 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.772 -0.649 . . . . 71.13 110.474 -175.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.426 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 20.0 p90 -170.34 149.0 3.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.254 -0.884 . . . . 75.41 110.417 176.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.05 -178.71 48.44 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.41 -0.676 . . . . 71.32 111.41 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -109.72 150.25 28.58 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 117.447 0.623 . . . . 62.04 111.061 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.534 ' HG2' ' HB3' ' A' ' 51' ' ' SER . 44.6 pttt -110.15 142.19 42.0 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.011 -0.737 . . . . 74.51 109.011 171.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.1 p -131.81 62.07 1.64 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.555 0.693 . . . . 60.32 109.59 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.5 p -103.95 142.85 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.455 -0.793 . . . . 54.21 109.902 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.5 mt -76.39 125.64 36.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.483 0.659 . . . . 74.35 110.797 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -117.3 98.39 6.41 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.973 -1.012 . . . . 71.52 108.648 177.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.558 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.6 OUTLIER -77.77 161.31 27.78 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.471 -0.786 . . . . 73.01 111.126 -173.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.1 t -120.29 111.23 31.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 109.119 -0.696 . . . . 74.21 109.119 176.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -51.85 106.38 0.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.769 -0.651 . . . . 54.13 111.281 -176.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.0 m -79.34 122.7 26.7 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.392 -0.822 . . . . 74.42 109.603 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.6 t -87.25 91.87 8.87 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.013 0.435 . . . . 75.35 110.633 -175.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -165.38 173.99 10.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.785 -0.643 . . . . 54.51 109.453 175.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -99.15 107.42 19.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.685 0.278 . . . . 71.24 110.297 175.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.6 t -78.41 162.02 26.72 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.463 -0.569 . . . . 62.44 109.463 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.62 16.43 9.09 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.463 0.542 . . . . 62.24 112.463 -172.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.751 HD11 ' HB2' ' A' ' 42' ' ' LEU . 1.1 pt? -141.32 177.0 8.4 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.614 -0.434 . . . . 75.21 110.915 175.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -48.46 -75.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.961 -1.018 . . . . 52.51 112.178 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 m -106.75 143.55 34.69 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.041 -0.982 . . . . 54.53 108.667 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -55.11 99.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.239 0.542 . . . . 74.43 110.426 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.751 ' HB2' HD11 ' A' ' 38' ' ' LEU . 48.7 tp -44.08 -52.4 7.2 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 114.964 -1.017 . . . . 52.13 111.377 -178.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -152.12 93.18 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.821 -0.627 . . . . 72.23 109.344 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.528 ' H ' HD23 ' A' ' 44' ' ' LEU . 2.6 pt? -87.05 -177.63 6.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.148 -0.478 . . . . 72.32 110.553 -177.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.6 m -66.07 107.11 1.79 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.078 0.466 . . . . 71.5 109.957 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -125.43 152.41 44.9 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.825 -0.625 . . . . 70.21 109.917 -177.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -130.41 146.53 51.99 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.231 -0.441 . . . . 75.2 109.859 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -77.85 113.12 15.42 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.033 -0.53 . . . . 63.32 109.776 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.79 81.58 1.72 Allowed Glycine 0 N--CA 1.441 -1.013 0 CA-C-N 115.825 -0.625 . . . . 75.51 111.624 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.553 ' HE2' HG23 ' A' ' 67' ' ' VAL . 5.4 m-85 -84.4 130.65 34.76 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.667 -0.494 . . . . 74.1 109.667 174.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.605 ' OG ' HD12 ' A' ' 58' ' ' ILE . 6.4 t -158.51 149.85 20.86 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.181 -0.463 . . . . 70.11 109.932 -177.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.651 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 35.9 t80 -104.24 122.35 45.2 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 110.025 -0.361 . . . . 74.14 110.025 177.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.411 ' HE2' ' HD3' ' A' ' 24' ' ' LYS . 2.0 m-85 -93.41 138.75 31.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.051 -0.977 . . . . 70.24 110.985 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.487 ' HB3' HG23 ' A' ' 59' ' ' VAL . 13.5 tpt180 -140.19 104.11 4.74 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.192 -0.913 . . . . 71.34 109.339 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 63.13 25.18 14.79 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.247 0.342 . . . . 74.2 111.367 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.16 3.61 82.22 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.611 -0.805 . . . . 55.34 112.125 -177.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -105.51 175.6 5.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.496 -0.557 . . . . 52.42 109.496 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.605 HD12 ' OG ' ' A' ' 51' ' ' SER . 28.8 mm -112.68 120.93 63.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.128 0.49 . . . . 70.04 111.101 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.581 HG11 HD13 ' A' ' 89' ' ' LEU . 59.3 t -100.43 -40.94 8.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.319 -0.855 . . . . 73.51 110.205 176.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.516 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -128.36 142.48 51.11 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 116.178 -0.465 . . . . 75.51 110.525 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -142.73 136.53 29.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.078 -0.342 . . . . 75.25 110.078 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.448 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -150.33 100.02 0.2 Allowed Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 111.229 -0.748 . . . . 64.02 111.229 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -99.96 120.91 40.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.777 0.322 . . . . 73.14 111.167 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.8 m -153.71 156.99 38.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.159 -0.473 . . . . 70.02 110.255 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -77.87 -16.34 58.34 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.476 -0.564 . . . . 70.4 109.476 176.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -93.59 121.94 35.52 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.701 -0.681 . . . . 70.33 109.48 173.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.553 HG23 ' HE2' ' A' ' 50' ' ' PHE . 12.1 p -57.77 -36.91 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 123.463 0.477 . . . . 54.32 110.856 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.23 -26.81 56.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 61.03 111.671 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -82.0 -44.11 17.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.094 0.473 . . . . 74.31 109.739 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.56 -51.25 70.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.234 -0.894 . . . . 60.14 110.527 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.425 ' HG3' ' CE1' ' A' ' 50' ' ' PHE . 5.4 mtpp -54.76 -44.3 73.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.18 -0.918 . . . . 72.34 110.977 174.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -56.09 -48.78 75.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.88 -0.6 . . . . 73.12 111.585 -176.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.448 ' HB ' ' HA3' ' A' ' 62' ' ' GLY . 42.6 mt -59.11 -54.99 26.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.758 -0.656 . . . . 73.21 111.421 -176.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 3.0 ptt? -61.65 -38.51 87.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 75.43 110.665 -178.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.635 ' HA ' HG21 ' A' ' 5' ' ' ILE . 47.5 mttm -57.09 -51.31 69.78 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 120.612 0.244 . . . . 71.2 110.683 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -62.12 -20.16 63.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 62.34 111.926 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.585 ' HE ' ' HA ' ' A' ' 77' ' ' ARG . 1.3 mmp_? -65.86 -66.1 0.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.597 -0.274 . . . . 65.24 110.406 176.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.537 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -68.02 -28.41 67.38 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.321 -0.552 . . . . 74.01 110.746 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.434 HD21 ' HD2' ' A' ' 2' ' ' LYS . 2.8 tm? -52.45 -48.73 65.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 74.53 110.079 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -72.18 -27.67 62.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.998 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.9 mt -69.78 -36.77 76.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.711 -0.222 . . . . 71.21 111.293 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.572 HD21 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -85.12 -27.56 26.15 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.848 -0.341 . . . . 71.21 111.268 178.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -71.09 -41.87 70.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.04 0.448 . . . . 71.41 110.799 175.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -89.09 -13.07 39.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.045 -0.525 . . . . 65.42 110.554 -177.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 65.26 47.33 2.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.41 -0.814 . . . . 72.3 110.881 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.5 m -89.01 139.32 30.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.624 -0.717 . . . . 75.34 110.747 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -70.84 -4.37 23.82 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.41 0.522 . . . . 75.04 112.41 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.427 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -62.91 -32.07 73.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.024 0.44 . . . . 75.42 111.222 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.622 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 5.2 tp -114.25 -9.03 12.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.624 0.726 . . . . 65.1 110.18 176.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.5 mt -119.77 22.44 11.57 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.818 -0.628 . . . . 72.22 112.394 -172.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -71.65 160.48 32.58 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.01 0.433 . . . . 75.43 111.639 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.7 m -84.4 139.48 32.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.624 -0.716 . . . . 62.13 110.607 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 98' ' ' SER . 15.3 p -140.18 -178.28 5.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.67 -0.695 . . . . 73.44 110.197 -177.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -116.96 69.33 0.75 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.497 -0.319 . . . . 72.33 111.231 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 67.9 m -95.5 8.87 42.02 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.739 -0.601 . . . . 64.1 110.57 168.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.49 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 20.3 ptmt -161.49 -48.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.697 -0.683 . . . . 71.45 109.631 178.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.49 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 30.4 p90 -167.29 172.08 10.12 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 107.455 -1.313 . . . . 73.3 107.455 175.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 93' ' ' CYS . 37.4 p -174.97 171.07 3.13 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.898 0.856 . . . . 74.12 112.181 173.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -102.84 -21.02 14.09 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 113.794 -1.548 . . . . 72.22 109.419 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.33 151.66 19.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.123 -0.944 . . . . 61.22 108.847 173.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.49 ' HD3' ' N ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.642 -0.694 . . . . 71.0 111.061 -176.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.5 mtt . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.84 0.352 . . . . 53.0 111.032 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.42 ' HE2' ' HB2' ' A' ' 2' ' ' LYS . 24.2 ttmm -90.15 77.91 6.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.691 -0.855 . . . . 74.22 108.691 172.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.65 94.25 0.1 Allowed Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 114.341 -1.3 . . . . 74.22 110.058 -174.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -62.5 150.6 39.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.026 0.917 . . . . 74.35 112.98 -170.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.793 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -68.62 -27.5 36.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.259 -1.337 . . . . 64.01 109.723 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.24 -41.27 88.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.212 -0.904 . . . . 71.23 109.688 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.687 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 1.5 m80 -58.05 -53.07 62.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.034 -0.53 . . . . 72.42 110.767 172.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.549 ' HG2' ' HA ' ' A' ' 5' ' ' ILE . 52.1 mmtt -55.61 -50.46 70.07 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 123.351 0.407 . . . . 65.4 111.175 -175.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.424 HG11 ' CE2' ' A' ' 52' ' ' PHE . 7.5 p -65.13 -36.97 79.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 73.12 111.343 -175.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.5 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 12.0 m-30 -68.09 -34.39 76.31 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.666 -0.494 . . . . 71.41 109.666 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.687 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 78.3 mm-40 -58.61 -48.66 80.25 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.777 -0.647 . . . . 74.41 112.136 -174.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.488 ' O ' ' HB3' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -90.63 -33.58 15.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.155 -0.475 . . . . 63.12 112.218 -173.809 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.502 HD21 ' O ' ' A' ' 89' ' ' LEU . 19.0 mt -66.34 -43.05 87.18 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 120.781 -0.368 . . . . 75.51 111.822 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 60.7 pttt -64.44 -26.84 68.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.047 0.451 . . . . 74.35 110.233 177.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.488 ' HB3' ' O ' ' A' ' 12' ' ' LEU . 14.5 t70 -66.85 -45.97 76.53 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.839 -0.618 . . . . 64.42 110.79 178.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.917 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 2.8 mt-30 -73.71 -6.64 48.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.125 -0.943 . . . . 73.24 111.449 -175.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.552 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 95.77 38.07 4.79 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.519 -0.848 . . . . 52.33 111.726 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.2 t -120.23 138.26 53.75 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.032 -0.358 . . . . 61.13 110.032 175.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.56 -8.82 6.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.094 0.474 . . . . 72.12 109.925 168.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.426 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 26.3 t70 -86.16 79.58 9.06 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 121.543 0.687 . . . . 74.22 111.241 -176.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 13.3 p90 -163.37 165.45 23.99 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.809 -1.087 . . . . 74.04 109.899 176.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.03 177.62 38.86 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.909 -0.662 . . . . 44.13 111.531 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 p -112.06 138.26 48.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.997 0.427 . . . . 72.23 111.477 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.564 ' HG2' ' HB3' ' A' ' 51' ' ' SER . 14.6 pttp -97.25 141.59 30.17 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.51 -0.922 . . . . 61.22 108.51 171.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.3 p -132.96 40.71 3.21 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.662 0.744 . . . . 73.01 109.054 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.6 p -82.62 130.92 34.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.059 -0.973 . . . . 61.55 110.769 -170.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 55.8 mt -72.08 128.03 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-O 121.338 0.589 . . . . 65.44 110.511 178.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -118.39 99.57 6.92 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.418 -0.81 . . . . 73.11 110.03 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.616 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 9.7 pt-20 -76.6 119.86 21.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.655 -0.702 . . . . 64.44 109.924 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.6 t -86.23 -63.37 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.66 -0.7 . . . . 73.22 111.383 -171.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HE2' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -144.96 164.5 30.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.146 -0.479 . . . . 50.12 110.202 -176.65 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.4 t -129.83 -168.96 2.03 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.681 -0.489 . . . . 72.1 109.681 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 p -131.54 96.48 3.99 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.668 -0.493 . . . . 63.5 109.668 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -66.76 99.32 0.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.862 -0.608 . . . . 74.33 109.623 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -168.44 -45.42 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.025 -0.534 . . . . 74.01 110.451 -174.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 t -71.83 -45.52 61.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.061 -0.518 . . . . 72.2 111.431 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.2 mt 54.1 88.51 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.618 0.599 . . . . 74.22 112.618 176.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -141.04 -164.34 1.73 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.207 -0.452 . . . . 70.22 110.331 178.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -41.81 -62.42 0.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.802 0.688 . . . . 72.23 111.063 173.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.0 p -111.82 -151.06 0.47 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.568 -0.742 . . . . 72.21 109.065 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -98.62 18.85 15.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.789 -0.448 . . . . 74.44 109.789 171.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 tp 67.46 -71.83 0.1 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.796 -0.638 . . . . 64.31 110.535 -174.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -170.3 97.58 0.26 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.58 -0.896 . . . . 73.31 108.58 176.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -85.43 -172.03 3.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.101 -0.5 . . . . 73.33 111.591 -175.009 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.424 HG23 ' NH1' ' A' ' 65' ' ' ARG . 15.0 m -82.73 97.34 8.52 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 121.631 0.729 . . . . 70.03 110.314 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.616 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -117.24 155.9 28.67 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.877 -1.056 . . . . 73.44 109.669 -178.35 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -127.51 147.26 50.32 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.284 -0.416 . . . . 73.41 110.323 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.5 ' CE2' ' HB ' ' A' ' 67' ' ' VAL . 4.5 m-30 -82.32 104.59 12.74 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.099 -0.704 . . . . 73.23 109.099 175.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.99 76.8 1.88 Allowed Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.688 -0.687 . . . . 71.13 112.487 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.557 ' CE2' HG23 ' A' ' 67' ' ' VAL . 18.2 m-85 -80.34 136.58 36.42 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.997 -0.372 . . . . 71.53 109.997 174.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.632 ' OG ' HD12 ' A' ' 58' ' ' ILE . 23.2 t -167.7 145.39 4.49 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.846 -0.427 . . . . 60.52 109.846 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.63 ' CG ' HD21 ' A' ' 78' ' ' LEU . 41.3 t80 -100.41 121.8 42.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.768 0.318 . . . . 72.11 110.326 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -93.29 138.12 31.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.235 -0.893 . . . . 75.42 110.911 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.441 ' HB3' HG23 ' A' ' 59' ' ' VAL . 16.2 tpt180 -141.55 104.35 4.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.387 -0.824 . . . . 75.35 109.953 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.426 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 6.1 m-70 56.55 31.6 19.33 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.825 0.345 . . . . 62.04 111.4 -177.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.35 -13.16 64.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 72.14 112.656 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -89.98 173.46 8.2 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.661 -0.496 . . . . 75.12 109.661 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.632 HD12 ' OG ' ' A' ' 51' ' ' SER . 25.8 mm -115.8 114.9 47.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.763 -0.653 . . . . 52.51 110.408 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.684 HG11 HD13 ' A' ' 89' ' ' LEU . 92.5 t -94.2 -38.39 9.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.272 -0.876 . . . . 65.04 109.735 178.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.415 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -128.36 139.18 52.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.597 -0.728 . . . . 65.11 110.044 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.423 ' HD2' HG21 ' A' ' 58' ' ' ILE . 2.1 t80 -143.34 125.43 15.37 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.6 -0.518 . . . . 74.42 109.6 176.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.523 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -141.38 95.54 0.19 Allowed Glycine 0 N--CA 1.44 -1.076 0 N-CA-C 111.235 -0.746 . . . . 61.54 111.235 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -99.76 124.51 45.1 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.837 0.351 . . . . 61.15 110.606 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.2 m -155.01 159.93 40.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.22 -0.445 . . . . 62.53 110.037 177.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.424 ' NH1' HG23 ' A' ' 45' ' ' THR . 35.7 ttt180 -74.46 -19.61 60.32 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.114 -0.698 . . . . 72.2 109.114 177.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -101.17 126.59 47.89 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.16 -0.927 . . . . 73.21 109.827 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.557 HG23 ' CE2' ' A' ' 50' ' ' PHE . 3.0 p -55.59 -47.75 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 O-C-N 123.42 0.45 . . . . 74.34 111.304 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 67' ' ' VAL . . . -63.39 -39.79 95.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.064 -0.516 . . . . 72.12 111.509 -178.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -69.39 -45.3 69.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.075 0.464 . . . . 72.51 110.271 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.523 ' HB1' ' O ' ' A' ' 62' ' ' GLY . . . -59.05 -47.07 86.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.01 0.909 . . . . 62.53 110.172 177.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.516 ' HG2' ' NZ ' ' A' ' 75' ' ' LYS . 15.9 ttpt -64.57 -37.3 87.07 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.088 -1.415 . . . . 75.51 110.439 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.53 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 5.9 t80 -57.31 -50.67 72.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.489 -0.778 . . . . 74.11 110.961 176.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.2 mt -59.29 -52.67 58.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.84 -0.618 . . . . 71.24 111.551 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.8 ptt? -60.32 -39.03 85.59 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.266 -0.425 . . . . 64.53 110.42 -178.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.793 ' HG2' ' HB ' ' A' ' 5' ' ' ILE . 35.0 mttp -55.35 -47.73 75.28 Favored 'General case' 0 CA--C 1.526 0.043 0 CA-C-O 120.629 0.252 . . . . 73.42 111.286 177.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 83.8 mm-40 -60.68 -25.43 66.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.971 -0.559 . . . . 61.33 111.38 -177.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.53 ' O ' HD22 ' A' ' 81' ' ' LEU . 23.5 mmm180 -67.43 -69.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.476 . . . . 73.54 110.874 178.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.646 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -62.57 -32.85 73.89 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.281 -0.567 . . . . 73.32 110.54 -176.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 9.5 tp -47.2 -54.58 10.38 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 123.647 0.592 . . . . 44.32 110.276 176.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -59.83 -34.3 72.9 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.326 -0.852 . . . . 74.25 111.273 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.631 HD12 ' HB2' ' A' ' 86' ' ' SER . 0.5 OUTLIER -67.06 -42.79 84.16 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.37 -0.532 . . . . 63.4 110.91 178.797 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.612 HD21 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -80.0 -23.66 41.38 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.075 -0.25 . . . . 74.13 111.318 -178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -74.09 -48.94 26.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.073 0.463 . . . . 62.34 110.885 174.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -86.68 -11.17 52.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.268 0.556 . . . . 73.43 110.003 -175.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm 60.96 50.94 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.903 -1.044 . . . . 51.21 110.436 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.631 ' HB2' HD12 ' A' ' 81' ' ' LEU . 10.5 m -96.23 143.36 27.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.251 -0.886 . . . . 64.23 110.526 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -71.87 -0.61 11.74 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.437 0.532 . . . . 63.51 112.437 -172.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.416 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.6 mm? -64.6 -33.08 75.08 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.857 0.36 . . . . 75.32 111.173 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.684 HD13 HG11 ' A' ' 59' ' ' VAL . 10.0 tp -113.34 -14.61 12.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.437 0.637 . . . . 73.41 110.563 173.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.4 mt -111.07 23.56 13.97 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 112.912 0.708 . . . . 74.04 112.912 -171.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -75.2 165.1 25.73 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.186 0.517 . . . . 73.13 111.402 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.3 m -94.0 149.99 20.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.363 -0.835 . . . . 72.11 111.108 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 18.3 p -146.9 -175.17 4.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.75 -0.659 . . . . 72.3 109.651 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -124.0 68.98 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.72 0.295 . . . . 74.11 110.789 176.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 13.2 m -81.39 -13.15 58.62 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.416 0.627 . . . . 70.33 110.214 172.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.423 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 18.6 ptmt -150.46 -46.86 0.12 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.598 -0.728 . . . . 73.21 109.676 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.464 ' HD1' ' O ' ' A' ' 98' ' ' SER . 23.3 p90 -160.87 -176.52 5.56 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.244 -1.021 . . . . 74.13 108.244 176.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.464 ' O ' ' HD1' ' A' ' 97' ' ' PHE . 42.4 m -131.11 173.24 11.22 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.888 0.375 . . . . 61.51 111.011 174.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt 72.12 48.59 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.36 -0.836 . . . . 74.3 110.891 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.917 ' HE2' ' HA ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -76.25 -57.79 3.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.865 -1.062 . . . . 63.24 108.311 170.732 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.3 tptt . . . . . 0 C--O 1.247 0.949 0 CA-C-N 114.605 -1.18 . . . . 73.34 110.391 170.161 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 109.776 -0.453 . . . . 64.22 109.776 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -83.1 111.18 18.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.275 0.56 . . . . 70.53 109.741 176.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.64 130.66 6.99 Favored Glycine 0 N--CA 1.443 -0.863 0 N-CA-C 110.739 -0.945 . . . . 63.34 110.739 -171.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -73.34 143.97 46.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.487 0.66 . . . . 72.23 111.602 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.647 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -62.3 -33.2 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 114.737 -1.12 . . . . 71.22 111.594 -176.524 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.65 -32.95 73.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.711 0.291 . . . . 64.3 110.233 -175.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -64.02 -39.48 94.2 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.548 -0.538 . . . . 72.21 109.548 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.483 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 55.6 mmtt -62.59 -48.68 78.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.982 -0.554 . . . . 73.42 110.046 178.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.732 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 57.4 t -54.94 -49.31 71.78 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 CA-C-N 115.803 -0.635 . . . . 75.4 111.126 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -63.12 -42.52 99.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.307 -0.406 . . . . 71.13 110.091 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -53.33 -48.09 68.77 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 113.103 0.779 . . . . 42.32 113.103 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -91.26 -38.39 12.7 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.834 -0.346 . . . . 60.12 111.885 -173.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.554 HD21 ' O ' ' A' ' 89' ' ' LEU . 20.5 mt -64.14 -44.59 91.69 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.185 0.439 . . . . 51.04 112.185 -177.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.614 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -62.57 -26.09 68.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.332 0.587 . . . . 73.33 109.872 178.761 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -77.43 -42.23 36.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.069 -0.969 . . . . 61.21 111.042 -177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -67.69 -19.59 65.19 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.034 -0.53 . . . . 74.42 110.738 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.607 ' HA2' ' HD3' ' A' ' 96' ' ' LYS . . . 111.12 40.7 1.24 Allowed Glycine 0 N--CA 1.438 -1.215 0 CA-C-N 115.529 -0.759 . . . . 71.15 111.892 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.614 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.2 t -126.39 135.3 51.27 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.452 -0.499 . . . . 75.31 110.591 173.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.46 4.81 9.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.285 0.564 . . . . 60.35 109.712 169.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -104.18 82.97 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.452 -0.794 . . . . 75.51 110.953 -172.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -168.53 154.44 6.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.657 -0.701 . . . . 65.41 110.164 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.37 162.52 29.93 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.799 -0.715 . . . . 55.03 112.124 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.508 HG23 ' CD2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -94.6 150.01 20.67 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.766 0.317 . . . . 41.42 111.633 -179.628 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.519 ' HE3' ' HB2' ' A' ' 51' ' ' SER . 0.0 OUTLIER -139.37 146.97 40.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.377 -0.374 . . . . 72.52 110.154 172.132 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.8 p -134.04 83.15 2.02 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.548 0.69 . . . . 75.21 109.776 173.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.0 p -92.34 138.88 18.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.633 -0.712 . . . . 53.53 109.228 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 64.1 mt -72.74 125.41 31.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.7 0.762 . . . . 72.24 111.039 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.416 ' CD ' ' HD3' ' A' ' 63' ' ' LYS . 45.2 mt-10 -98.15 84.71 3.32 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 114.639 -1.164 . . . . 71.24 109.106 176.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 9.5 pt-20 -80.19 117.29 20.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.791 -1.095 . . . . 74.01 109.715 -178.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.1 t -80.6 88.02 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.744 -0.662 . . . . 64.3 110.14 -175.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.486 ' HA ' HD21 ' A' ' 44' ' ' LEU . 39.0 ttpt -78.31 85.22 4.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.405 -0.816 . . . . 71.1 110.286 -177.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.0 t -155.21 147.83 24.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.564 -0.744 . . . . 51.02 109.761 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.7 m 59.2 35.78 23.65 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.749 0.655 . . . . 70.44 110.968 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -99.69 81.47 2.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.626 0.727 . . . . 73.14 111.207 -177.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -90.79 115.17 27.65 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.508 -0.923 . . . . 60.24 108.508 172.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.3 t -155.22 -167.68 2.63 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.163 -0.471 . . . . 64.24 111.394 -167.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.4 mt -119.3 3.27 11.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.395 -0.366 . . . . 74.11 111.79 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.453 ' H ' HD23 ' A' ' 38' ' ' LEU . 2.2 pt? -133.84 -175.59 3.89 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.254 -0.276 . . . . 74.13 110.254 178.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -40.71 -63.55 0.64 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.593 0.757 . . . . 51.51 111.813 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.1 p -136.92 168.99 18.51 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.381 -0.827 . . . . 70.22 108.908 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -56.26 101.29 0.05 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.504 -0.554 . . . . 74.31 109.504 171.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.4 tp -33.14 -49.04 0.24 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 124.289 0.993 . . . . 71.5 111.794 174.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -108.7 88.76 2.8 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.923 -0.769 . . . . 71.24 108.923 170.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.491 HD23 ' HB2' ' A' ' 29' ' ' GLU . 48.1 tp -91.13 156.44 17.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.908 -0.587 . . . . 74.35 110.278 -175.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.3 m -66.04 97.06 0.35 Allowed 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.375 0.607 . . . . 52.13 109.47 174.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -117.27 151.44 36.93 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.658 -0.701 . . . . 75.21 110.31 -174.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -129.46 152.77 48.64 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.964 -0.562 . . . . 74.12 110.298 -177.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -87.78 107.51 18.69 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.781 0.324 . . . . 63.31 110.137 177.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.75 77.14 1.66 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.735 -0.745 . . . . 60.53 112.403 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.556 ' CE1' HG23 ' A' ' 67' ' ' VAL . 7.3 m-85 -72.68 136.66 45.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.733 0.302 . . . . 74.54 110.382 176.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.519 ' HB2' ' HE3' ' A' ' 24' ' ' LYS . 2.7 m -157.13 154.7 29.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.438 -0.346 . . . . 64.13 110.685 -179.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.732 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 28.5 t80 -111.69 123.1 49.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.768 -0.456 . . . . 73.33 109.768 174.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -93.53 140.7 29.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.619 -0.719 . . . . 73.44 111.987 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.514 ' HB3' HG23 ' A' ' 59' ' ' VAL . 15.1 tpt180 -144.72 105.91 4.2 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.247 -0.888 . . . . 72.02 109.669 179.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 60.85 28.68 18.43 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.792 0.33 . . . . 75.24 111.082 -177.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.4 -1.29 88.95 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.448 -0.882 . . . . 64.25 112.366 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -97.75 176.29 5.87 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.825 -0.435 . . . . 73.41 109.825 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.414 HD12 ' HB3' ' A' ' 51' ' ' SER . 23.3 mm -114.42 115.69 50.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.031 -0.531 . . . . 73.44 110.716 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.629 HG11 HD13 ' A' ' 89' ' ' LEU . 68.2 t -94.33 -38.45 9.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.375 -0.829 . . . . 72.45 109.871 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.463 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -128.89 137.11 51.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.722 -0.672 . . . . 71.25 110.141 178.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -143.71 130.15 20.0 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.914 -0.402 . . . . 71.01 109.914 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -154.68 96.78 0.16 Allowed Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.838 -0.696 . . . . 74.41 112.134 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.416 ' HD3' ' CD ' ' A' ' 28' ' ' GLU . 3.8 ttpm? -92.95 127.38 38.44 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 120.777 0.323 . . . . 50.22 110.311 176.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.409 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 27.8 t -142.81 163.21 33.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.291 -0.413 . . . . 71.33 110.329 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.479 ' HD3' ' O ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -69.36 -25.42 64.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.933 -0.576 . . . . 75.45 110.004 179.192 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -120.98 149.98 41.83 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.834 0.349 . . . . 74.43 111.064 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.556 HG23 ' CE1' ' A' ' 50' ' ' PHE . 3.3 p -61.09 -42.65 94.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.836 -0.62 . . . . 71.42 111.643 -177.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.8 -52.01 67.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 60.1 111.855 -176.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -64.82 -43.57 92.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.254 -0.43 . . . . 63.32 110.507 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.409 ' HB2' ' HB3' ' A' ' 64' ' ' SER . . . -58.41 -47.85 82.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.605 -0.725 . . . . 63.34 111.503 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.579 ' O ' ' HD3' ' A' ' 75' ' ' LYS . 54.4 mtmt -56.83 -46.67 81.52 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.116 0.484 . . . . 63.43 110.335 175.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -54.04 -48.6 70.38 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.022 -0.99 . . . . 73.12 111.179 -176.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.471 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 48.9 mt -58.37 -56.97 12.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.419 -0.81 . . . . 71.44 111.675 -177.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.441 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.6 ptt? -64.34 -38.32 90.62 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.878 -0.329 . . . . 74.04 111.074 -176.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.647 ' HA ' HG21 ' A' ' 5' ' ' ILE . 5.6 mptp? -54.02 -51.15 64.93 Favored 'General case' 0 CA--C 1.526 0.057 0 CA-C-O 120.818 0.342 . . . . 73.35 110.359 177.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -62.2 -24.47 67.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.775 -0.648 . . . . 75.31 111.912 -178.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.572 ' NE ' ' HA ' ' A' ' 77' ' ' ARG . 3.4 mmp_? -64.88 -63.74 1.04 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.561 -0.29 . . . . 75.41 111.38 -178.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.75 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -65.33 -30.74 71.62 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.303 -0.559 . . . . 75.21 110.303 178.632 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.08 -47.17 68.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.693 -0.685 . . . . 73.12 109.888 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -66.69 -33.69 76.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.105 -0.498 . . . . 63.21 111.071 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.576 ' HG ' ' HB2' ' A' ' 86' ' ' SER . 5.6 mp -67.1 -41.27 86.56 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.028 -0.533 . . . . 61.21 111.35 -177.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.603 HD21 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -81.55 -19.5 41.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.856 0.36 . . . . 63.02 111.465 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -80.47 -47.47 14.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.146 0.498 . . . . 63.31 110.911 175.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -87.29 -14.16 41.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.685 -0.688 . . . . 72.3 110.138 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 65.11 54.3 1.25 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.087 -0.96 . . . . 72.45 110.633 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.576 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 8.3 m -87.53 136.17 33.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.818 -1.083 . . . . 73.24 109.779 176.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -71.52 -2.42 16.79 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.212 0.449 . . . . 73.14 112.212 -172.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.466 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -64.29 -39.13 93.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.749 0.309 . . . . 63.31 110.732 -177.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.75 HD22 ' HB3' ' A' ' 78' ' ' LEU . 15.8 tp -105.55 -13.79 15.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.212 0.53 . . . . 64.31 111.004 175.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.6 mt -116.22 25.65 10.5 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 112.999 0.74 . . . . 74.5 112.999 -170.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -75.85 161.25 29.15 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.763 -0.375 . . . . 75.04 111.184 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.7 t -89.07 145.86 25.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.187 0.518 . . . . 54.33 110.165 178.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 16.8 p -150.62 156.82 42.12 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.83 -0.623 . . . . 31.42 109.712 -177.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -93.27 78.51 4.49 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.408 -0.517 . . . . 75.3 110.902 174.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 20.2 m -89.84 -14.7 33.81 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 119.946 -0.702 . . . . 51.41 109.182 163.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.607 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 0.1 OUTLIER -156.82 -44.48 0.07 Allowed 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.327 -0.852 . . . . 64.52 110.08 176.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.48 ' CD2' ' HG3' ' A' ' 96' ' ' LYS . 38.4 p90 -153.38 159.54 42.45 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.019 -0.363 . . . . 75.12 110.019 175.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.6 p 177.75 148.86 0.17 Allowed 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.892 0.745 . . . . 74.34 110.657 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt 72.07 -36.65 0.37 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.101 0.778 . . . . 61.23 113.101 173.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 101' ' ' LYS . 13.1 tmtt? -64.55 147.1 53.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.851 0.357 . . . . 73.32 110.15 -177.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.681 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 1.5 mptp? . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.666 -0.683 . . . . 73.43 110.84 -175.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 mmt . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 120.358 0.123 . . . . 63.05 110.669 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.467 ' HA ' ' HD3' ' A' ' 2' ' ' LYS . 71.0 mmtt 74.96 116.1 0.06 Allowed 'General case' 0 C--O 1.233 0.234 0 O-C-N 124.198 0.936 . . . . 73.12 112.043 174.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 107.76 -146.71 16.31 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 114.848 -1.069 . . . . 71.02 111.541 -177.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -125.28 138.14 54.08 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.157 0.503 . . . . 51.22 110.16 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.632 HG13 ' O ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -64.84 -29.86 48.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.452 -0.794 . . . . 73.03 111.807 -174.31 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.414 ' HA ' HG12 ' A' ' 9' ' ' VAL . 6.5 mt-10 -69.49 -29.98 67.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.037 -0.356 . . . . 63.42 110.037 -176.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -65.39 -45.07 85.49 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.939 -0.573 . . . . 73.13 109.501 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 60.1 mmtt -62.12 -49.03 77.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.514 -0.766 . . . . 51.0 111.181 -175.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' A' ' 6' ' ' GLU . 7.7 p -65.11 -40.97 90.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.869 -0.605 . . . . 61.22 111.644 -175.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -68.7 -35.83 77.68 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.402 -0.592 . . . . 73.24 109.402 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 9.0 mm-40 -51.4 -55.42 18.72 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.575 -0.739 . . . . 65.25 112.279 -175.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.456 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -85.58 -39.11 17.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.669 -0.696 . . . . 52.32 111.628 -174.451 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.436 ' H ' HD12 ' A' ' 12' ' ' LEU . 25.6 mt -62.35 -45.36 93.52 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.193 0.442 . . . . 73.33 112.193 -177.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -25.99 66.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.016 0.436 . . . . 73.15 110.132 179.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -74.15 -42.75 59.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.716 -0.675 . . . . 72.52 110.046 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 7.1 mt-30 -67.08 -13.22 61.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.47 -0.786 . . . . 63.44 110.432 177.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.553 ' HA3' ' CD ' ' A' ' 96' ' ' LYS . . . 94.07 30.48 8.79 Favored Glycine 0 N--CA 1.436 -1.347 0 CA-C-N 115.621 -0.718 . . . . 43.44 112.211 178.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.402 ' C ' ' HE1' ' A' ' 21' ' ' PHE . 4.8 t -100.29 142.96 31.06 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.839 -0.43 . . . . 62.45 109.839 175.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -125.02 -14.83 6.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.649 0.738 . . . . 73.44 110.118 170.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -86.21 81.45 8.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.506 -0.77 . . . . 73.42 110.742 -175.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.507 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 28.0 p90 -169.98 152.05 4.25 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.079 -0.964 . . . . 60.25 110.196 175.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.04 157.6 19.84 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.993 -0.622 . . . . 61.03 111.654 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -88.64 143.22 27.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.786 0.327 . . . . 63.33 111.422 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.36 133.07 56.38 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.24 -0.652 . . . . 52.12 109.24 174.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.6 p -130.87 98.81 4.72 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.916 -0.584 . . . . 72.21 110.335 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.7 p -139.2 140.89 37.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.884 -0.598 . . . . 62.21 109.579 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.6 mt -79.99 129.88 36.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.166 0.507 . . . . 75.32 109.892 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -121.98 97.07 5.31 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.491 -0.777 . . . . 75.15 109.232 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.767 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 8.2 pt-20 -76.36 143.91 40.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.185 -0.916 . . . . 73.44 111.156 -175.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.2 t -115.57 84.13 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.695 -0.684 . . . . 72.1 109.597 -177.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.521 ' HB3' HD22 ' A' ' 44' ' ' LEU . 11.8 tptp -177.13 -165.88 0.13 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.726 -1.212 . . . . 44.4 107.726 -176.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.1 m -62.86 101.75 0.29 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.991 -0.374 . . . . 55.34 109.991 174.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.8 m -69.83 -29.73 67.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.262 0.553 . . . . 54.32 109.892 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -83.29 45.52 1.04 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.524 -0.762 . . . . 63.32 109.7 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -60.68 150.58 31.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.569 -0.742 . . . . 71.24 111.422 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.6 t -74.93 -6.01 46.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.72 -0.673 . . . . 64.33 112.066 -173.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.9 mt 58.55 93.3 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.209 0.528 . . . . 64.24 110.4 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.632 HD21 ' HB2' ' A' ' 41' ' ' GLU . 2.7 pt? -144.4 -150.56 0.33 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.936 -0.575 . . . . 75.5 110.234 -171.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.595 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 27.6 t-20 -83.03 -67.61 0.77 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.811 -0.631 . . . . 72.03 111.505 177.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.9 p -75.41 -64.02 1.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.48 0.548 . . . . 60.03 112.48 -172.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.632 ' HB2' HD21 ' A' ' 38' ' ' LEU . 2.5 mp0 -72.87 15.74 0.19 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.754 0.65 . . . . 75.44 112.754 -177.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.504 ' HB2' ' O ' ' A' ' 38' ' ' LEU . 3.2 tm? -63.89 -45.67 88.34 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.699 -0.852 . . . . 70.41 108.699 173.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -114.15 85.27 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.191 -0.913 . . . . 75.21 110.211 177.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.521 HD22 ' HB3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -88.38 -169.87 2.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.254 -0.885 . . . . 51.43 110.839 -179.695 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.9 m -58.72 107.16 0.48 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.158 0.504 . . . . 63.52 111.045 -178.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.767 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -124.67 153.57 42.11 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.911 -0.586 . . . . 73.22 110.103 -178.545 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -130.08 150.9 51.14 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.698 -0.482 . . . . 75.1 109.698 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -88.84 113.29 24.23 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.248 -0.433 . . . . 73.24 109.947 177.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.05 81.33 1.6 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.905 -0.664 . . . . 73.41 111.974 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.574 ' HB3' ' SD ' ' A' ' 74' ' ' MET . 12.1 m-85 -83.39 134.32 34.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.933 0.397 . . . . 75.1 110.229 174.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.493 ' HB3' HD12 ' A' ' 58' ' ' ILE . 16.0 m -154.77 153.86 31.89 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.298 -0.41 . . . . 71.55 110.459 177.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.574 ' CG ' HD21 ' A' ' 78' ' ' LEU . 33.2 t80 -110.19 121.88 46.32 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.549 -0.538 . . . . 62.44 109.549 174.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -92.07 141.01 29.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.645 -0.707 . . . . 42.33 111.194 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.516 ' HB3' HG23 ' A' ' 59' ' ' VAL . 13.8 tpt180 -145.31 104.08 3.9 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.262 -0.881 . . . . 73.13 109.647 -178.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 61.67 24.37 14.49 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.734 0.302 . . . . 70.24 111.557 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.86 -2.68 80.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 62.21 111.869 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -100.1 177.16 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.657 -0.498 . . . . 63.2 109.657 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.493 HD12 ' HB3' ' A' ' 51' ' ' SER . 13.9 mm -117.02 113.23 42.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.057 -0.52 . . . . 75.34 110.196 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.694 HG11 HD13 ' A' ' 89' ' ' LEU . 77.5 t -90.65 -36.95 8.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.582 -0.735 . . . . 73.34 109.849 176.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -127.33 136.24 51.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.739 -0.664 . . . . 63.43 110.676 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -138.51 128.43 25.3 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.045 -0.525 . . . . 72.02 109.813 174.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.42 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -147.64 92.34 0.15 Allowed Glycine 0 N--CA 1.442 -0.953 0 CA-C-N 115.834 -0.621 . . . . 64.21 111.63 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HB3' ' HE2' ' A' ' 63' ' ' LYS . 36.4 ttpt -100.01 117.53 34.49 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.825 -0.435 . . . . 71.32 109.825 177.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.1 t -144.8 164.3 31.47 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.924 0.393 . . . . 64.44 110.769 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -69.69 -30.61 68.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.7 -0.682 . . . . 64.41 110.498 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -101.39 133.5 45.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.749 -0.659 . . . . 61.31 109.965 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.454 HG23 ' HE2' ' A' ' 50' ' ' PHE . 7.4 p -59.36 -45.16 93.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.921 -0.581 . . . . 51.43 111.366 -175.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.64 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . . . -69.16 -34.29 74.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.212 -0.449 . . . . 75.11 111.726 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -71.49 -44.56 64.48 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.791 -0.448 . . . . 71.32 109.791 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.544 ' HA ' HD12 ' A' ' 73' ' ' ILE . . . -54.47 -47.76 72.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.05 0.928 . . . . 63.31 110.232 174.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.64 ' HE2' ' HA ' ' A' ' 68' ' ' ALA . 30.2 ttpt -61.84 -42.72 99.38 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 113.609 -1.632 . . . . 73.01 110.226 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -55.84 -48.09 76.09 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.804 -0.635 . . . . 64.42 110.858 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.544 HD12 ' HA ' ' A' ' 70' ' ' ALA . 45.0 mt -57.32 -54.18 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.609 -0.723 . . . . 72.14 111.37 -177.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.574 ' SD ' ' HB3' ' A' ' 50' ' ' PHE . 2.7 ptt? -63.58 -39.03 93.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.428 -0.351 . . . . 73.32 110.538 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.632 ' O ' HG13 ' A' ' 5' ' ' ILE . 56.2 mttm -57.91 -47.65 82.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 121.021 -0.272 . . . . 74.45 110.918 178.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -60.32 -26.29 66.44 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.778 0.288 . . . . 73.22 111.778 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 4.0 mmp_? -62.56 -60.8 3.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.402 -0.363 . . . . 62.35 110.844 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.769 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -69.99 -33.58 72.23 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.034 -0.666 . . . . 74.12 110.166 178.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -51.74 -51.03 59.27 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.851 -0.613 . . . . 73.11 109.881 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 14.6 mmmt -65.69 -33.84 76.82 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.928 -0.578 . . . . 74.13 111.443 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.565 HD23 ' HB2' ' A' ' 89' ' ' LEU . 4.2 mp -64.41 -43.63 93.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.511 -0.313 . . . . 75.13 111.388 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.523 HD21 HD11 ' A' ' 5' ' ' ILE . 0.8 OUTLIER -77.62 -31.5 52.87 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.922 -0.311 . . . . 74.25 111.531 -179.332 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -73.4 -44.16 59.01 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.083 0.468 . . . . 73.04 111.037 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -83.57 -18.33 38.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.785 -0.643 . . . . 74.5 110.311 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm 67.67 46.3 1.34 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.123 -0.944 . . . . 62.22 110.662 -177.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.482 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 5.2 m -78.71 134.69 37.07 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 114.501 -1.227 . . . . 64.2 109.933 174.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -69.2 -3.19 12.64 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.499 0.555 . . . . 62.45 112.499 -174.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.406 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.8 mm? -64.18 -39.56 94.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.579 0.228 . . . . 73.43 111.156 -176.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.769 HD22 ' HB3' ' A' ' 78' ' ' LEU . 21.4 tp -105.42 -12.98 15.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.603 0.716 . . . . 63.43 111.08 176.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.497 HD11 ' HA ' ' A' ' 82' ' ' LEU . 14.6 mt -114.78 21.6 14.25 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.807 -0.633 . . . . 65.12 112.68 -170.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -71.96 159.01 34.96 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.862 0.363 . . . . 74.14 110.755 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.7 p -84.82 136.75 33.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.855 -0.611 . . . . 75.22 110.332 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.6 p -136.39 174.26 10.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.113 -0.494 . . . . 75.03 109.959 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -113.39 66.33 0.66 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.802 0.334 . . . . 75.41 111.241 -177.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 42.3 m -89.2 -1.2 57.98 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.357 -0.537 . . . . 53.5 110.642 170.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.553 ' CD ' ' HA3' ' A' ' 17' ' ' GLY . 21.4 ptmt -158.07 -45.66 0.06 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.308 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.437 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 28.2 p90 -164.38 163.54 22.37 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.279 -0.637 . . . . 72.41 109.279 176.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.5 p -179.05 174.08 1.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.882 0.739 . . . . 75.24 110.405 173.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.7 mmtt -94.94 -30.98 13.87 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.098 -0.704 . . . . 74.53 109.098 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.599 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 2.0 tpmt? -97.46 125.39 42.1 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.474 -0.785 . . . . 72.42 109.949 176.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.286 -0.864 . . . . 74.13 109.281 179.106 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.5 ttp . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.734 0.302 . . . . 74.11 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.462 ' HE3' ' HB2' ' A' ' 2' ' ' LYS . 20.5 ptmt -93.14 -177.87 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.121 0.486 . . . . 65.21 111.136 -177.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 133.24 173.06 13.15 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 111.417 -0.673 . . . . 62.14 111.417 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -80.07 139.69 36.8 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.688 -0.486 . . . . 75.25 109.688 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.708 HG22 ' HG2' ' A' ' 75' ' ' LYS . 4.7 tp -70.5 -25.8 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.614 -0.266 . . . . 53.23 111.154 -175.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.15 -32.33 73.86 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.483 -0.562 . . . . 73.21 109.483 -178.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.665 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 22.3 t60 -66.53 -52.36 46.58 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.159 -0.682 . . . . 73.1 109.159 174.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HG2' ' H ' ' A' ' 8' ' ' LYS . 57.5 mmtt -59.57 -51.02 71.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.396 -0.82 . . . . 63.5 111.464 -174.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.489 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 11.1 p -62.36 -38.2 80.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.912 -0.585 . . . . 73.12 111.241 -175.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.571 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 14.4 m-30 -69.49 -34.12 73.86 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.518 -0.549 . . . . 71.12 109.518 177.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.665 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 17.4 mm-40 -56.69 -51.16 69.85 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.124 -0.489 . . . . 74.31 112.175 -174.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.54 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -87.35 -40.16 14.68 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.335 -0.393 . . . . 74.54 111.853 -176.002 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.54 ' H ' HD12 ' A' ' 12' ' ' LEU . 18.9 mt -61.11 -45.16 95.85 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.103 0.408 . . . . 74.24 112.103 -177.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 63.0 pttt -64.36 -30.63 71.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.032 0.444 . . . . 73.33 109.813 177.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -69.91 -41.47 74.64 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.908 -0.587 . . . . 71.22 110.74 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 9.2 mt-30 -66.65 -6.28 14.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.564 -0.744 . . . . 73.51 110.789 177.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.486 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 88.95 33.36 9.79 Favored Glycine 0 N--CA 1.439 -1.139 0 C-N-CA 120.87 -0.681 . . . . 55.45 111.404 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.4 t -107.5 133.12 52.44 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.585 -0.446 . . . . 61.31 111.15 178.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -133.82 68.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.185 -0.672 . . . . 64.21 109.185 165.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.618 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 15.5 t70 -159.27 76.65 0.7 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.484 -0.78 . . . . 74.23 109.326 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.546 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 22.2 p90 -171.34 147.54 2.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.401 -0.818 . . . . 72.43 110.671 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.71 167.85 39.9 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 116.097 -0.501 . . . . 65.05 111.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.5 p -98.13 135.29 40.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.934 0.367 . . . . 71.32 111.105 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.38 129.7 55.24 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.254 -0.647 . . . . 72.15 109.254 176.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.6 p -128.13 108.36 10.58 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.008 -0.542 . . . . 54.11 110.538 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.26 143.66 29.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.656 -0.702 . . . . 73.54 109.556 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.6 mt -82.51 132.34 31.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 121.043 0.449 . . . . 64.0 111.108 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -113.46 101.54 9.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.545 -0.752 . . . . 51.51 109.062 176.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.455 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -73.6 133.84 43.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.658 -0.701 . . . . 64.15 110.366 -179.08 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.0 t -96.4 86.84 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.097 0.475 . . . . 73.0 110.286 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.689 ' HA ' HD21 ' A' ' 44' ' ' LEU . 8.6 pttm -80.85 77.56 7.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.6 0.714 . . . . 74.15 110.322 176.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.8 t -99.61 7.11 45.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.947 -1.024 . . . . 31.33 109.754 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.1 t -108.88 -168.67 1.37 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.673 -0.694 . . . . 73.33 109.873 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -74.12 160.01 31.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.361 -0.382 . . . . 74.12 110.562 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -64.62 153.21 40.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.895 -0.593 . . . . 65.23 111.987 -171.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 p -91.04 129.38 37.05 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.598 -0.728 . . . . 62.41 110.814 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.2 tp -131.55 51.99 2.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.559 0.695 . . . . 63.41 109.379 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.512 HD21 ' H ' ' A' ' 42' ' ' LEU . 2.2 pt? -122.8 -163.26 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.13 -0.941 . . . . 73.02 109.3 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -44.97 -70.22 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.694 0.621 . . . . 74.54 111.427 176.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.1 -151.58 0.48 Allowed 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.13 -1.063 . . . . 75.23 108.13 175.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 41' ' ' GLU . 1.0 OUTLIER -92.32 116.19 28.74 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.516 -0.92 . . . . 70.04 108.516 166.001 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.512 ' H ' HD21 ' A' ' 38' ' ' LEU . 3.6 pp -51.91 166.09 0.17 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.278 -0.874 . . . . 75.11 111.964 178.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 -67.4 98.57 0.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.554 0.693 . . . . 64.42 110.271 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.689 HD21 ' HA ' ' A' ' 31' ' ' LYS . 47.7 tp -96.97 167.83 10.84 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.952 -1.022 . . . . 74.13 110.842 -173.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.494 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 23.6 m -62.26 109.98 1.49 Allowed 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.411 -0.588 . . . . 70.42 109.411 172.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -122.19 153.61 38.57 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.154 -0.475 . . . . 74.23 110.602 -174.322 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -125.71 146.41 49.76 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.824 -0.625 . . . . 75.11 109.804 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 15.5 m-85 -87.83 116.84 26.26 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 120.904 0.383 . . . . 70.25 110.3 176.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.53 84.64 1.32 Allowed Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.763 -0.653 . . . . 62.33 111.796 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.651 ' HE1' HG23 ' A' ' 67' ' ' VAL . 3.1 m-85 -84.13 137.54 33.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.823 0.344 . . . . 55.32 110.628 177.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.523 ' HB3' HD12 ' A' ' 58' ' ' ILE . 11.6 m -154.44 150.36 27.78 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.188 -0.46 . . . . 53.12 110.386 176.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.557 ' CG ' HD21 ' A' ' 78' ' ' LEU . 65.7 t80 -106.62 122.74 46.94 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.7 -0.481 . . . . 72.5 109.7 174.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -95.9 134.57 38.74 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.963 0.79 . . . . 74.4 110.75 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.546 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.7 OUTLIER -143.42 104.22 4.21 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.791 -0.818 . . . . 72.22 108.791 177.06 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.618 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 5.2 m-70 64.32 24.2 13.22 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.831 -0.622 . . . . 71.15 111.983 -175.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.71 -7.73 77.04 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.652 -0.785 . . . . 62.23 112.5 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -92.06 168.57 11.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.504 -0.554 . . . . 65.54 109.504 177.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.523 HD12 ' HB3' ' A' ' 51' ' ' SER . 20.3 mm -108.25 106.18 20.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.683 -0.69 . . . . 55.15 110.079 178.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.634 HG11 HD13 ' A' ' 89' ' ' LEU . 88.8 t -85.56 -37.17 11.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 CA-C-N 114.994 -1.003 . . . . 72.42 109.966 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -129.4 137.78 51.11 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 115.699 -0.682 . . . . 72.1 110.949 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.435 ' HD1' ' HG ' ' A' ' 51' ' ' SER . 61.2 t80 -138.07 130.1 28.63 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.51 -0.552 . . . . 61.12 109.51 173.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.408 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -152.61 95.6 0.16 Allowed Glycine 0 N--CA 1.44 -1.074 0 C-N-CA 120.821 -0.704 . . . . 63.34 111.768 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 31.0 ttpt -98.72 133.67 42.72 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 110.275 -0.269 . . . . 70.42 110.275 176.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.1 m -149.28 165.82 30.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.91 0.386 . . . . 73.05 111.283 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -62.64 -31.86 72.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.549 -0.751 . . . . 73.13 110.159 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -118.95 145.65 45.61 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.762 -0.654 . . . . 63.35 110.871 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.651 HG23 ' HE1' ' A' ' 50' ' ' PHE . 7.4 p -61.46 -39.32 82.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.432 -0.804 . . . . 52.54 112.22 -173.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.96 -29.44 58.28 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.932 0.345 . . . . 61.3 111.932 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -73.57 -40.12 64.15 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.967 -0.753 . . . . 64.42 108.967 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 62' ' ' GLY . . . -59.39 -43.04 92.99 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.812 -1.085 . . . . 74.13 110.416 176.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.558 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 87.6 mttt -55.48 -49.44 72.52 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 115.545 -0.752 . . . . 74.34 110.567 173.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.451 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 47.2 t80 -52.95 -50.19 64.54 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.127 -0.942 . . . . 65.44 111.107 -174.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 35.3 mt -62.2 -48.82 86.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.824 -0.626 . . . . 52.51 110.913 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.48 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 54.3 ttp -53.4 -51.22 63.26 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.634 -0.712 . . . . 74.32 110.665 175.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.708 ' HG2' HG22 ' A' ' 5' ' ' ILE . 65.3 mttm -63.53 -40.93 98.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.485 -0.78 . . . . 70.13 111.668 -176.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 28.6 mm-40 -62.64 -28.86 70.2 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.503 0.192 . . . . 71.25 111.382 178.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 74' ' ' MET . 13.3 mmm180 -57.75 -65.23 0.67 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.502 -0.317 . . . . 75.15 110.74 176.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.757 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -66.12 -33.03 74.85 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.128 -0.629 . . . . 73.11 110.51 -178.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -51.69 -49.28 62.72 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.987 -0.552 . . . . 64.11 110.776 -178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -69.69 -32.06 70.45 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.81 -0.356 . . . . 34.35 110.954 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.59 ' HG ' ' HB2' ' A' ' 86' ' ' SER . 4.9 mp -64.38 -41.52 96.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.42 -0.354 . . . . 73.43 111.665 -178.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.673 HD21 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -79.8 -22.75 42.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.685 0.279 . . . . 75.2 111.699 -178.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -82.16 -38.82 24.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.205 0.526 . . . . 65.33 110.537 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -89.15 -15.6 33.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.465 -0.789 . . . . 72.41 110.256 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp 67.26 43.25 2.08 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.295 -0.866 . . . . 73.34 110.757 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.59 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 7.8 m -78.16 131.59 37.26 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 114.852 -1.067 . . . . 71.11 110.247 178.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -63.78 -9.52 15.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.162 -0.472 . . . . 63.14 111.967 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.46 HD23 ' HB3' ' A' ' 86' ' ' SER . 2.7 mm? -58.81 -43.81 90.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.677 -0.238 . . . . 73.41 111.263 -177.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.757 HD22 ' HB3' ' A' ' 78' ' ' LEU . 27.9 tp -100.88 -24.61 14.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.413 0.625 . . . . 64.42 110.952 175.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.455 HD11 ' HA ' ' A' ' 82' ' ' LEU . 8.5 mt -107.99 25.48 11.53 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 113.03 0.752 . . . . 74.52 113.03 -167.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -73.0 160.5 32.0 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 120.148 -0.621 . . . . 75.43 110.739 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.4 t -84.23 141.07 31.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.509 -0.769 . . . . 55.42 110.132 -178.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.1 p -139.64 169.57 17.49 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.729 -0.669 . . . . 73.13 109.577 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -108.79 68.02 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.578 0.228 . . . . 72.11 111.155 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 16.7 m -84.66 -26.7 27.61 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.079 -0.648 . . . . 74.2 110.373 170.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.469 ' CD ' ' HA3' ' A' ' 17' ' ' GLY . 20.9 ptmt -126.34 -40.61 1.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 74.24 109.969 176.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.426 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 24.7 p90 -172.52 178.76 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.886 -0.783 . . . . 73.5 108.886 176.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.4 m -157.7 159.53 36.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 123.455 0.472 . . . . 73.21 110.239 168.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? 57.63 53.31 7.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.395 -0.82 . . . . 72.41 112.343 166.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -47.32 86.97 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 107.884 -1.154 . . . . 75.21 107.884 167.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.525 ' HD2' ' HA ' ' A' ' 101' ' ' LYS . 14.9 tptp . . . . . 0 C--O 1.254 1.339 0 CA-C-N 114.493 -1.231 . . . . 70.22 110.084 169.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptm . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.352 0.12 . . . . 73.54 111.045 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.521 ' HD2' ' HB2' ' A' ' 4' ' ' ASP . 18.8 ptpt -119.3 -9.4 9.93 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.701 -0.399 . . . . 74.53 111.411 -176.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.07 41.29 71.17 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.549 -0.834 . . . . 44.32 111.403 -176.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.521 ' HB2' ' HD2' ' A' ' 2' ' ' LYS . 25.2 t70 -70.62 143.11 51.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.303 0.573 . . . . 72.24 111.734 -175.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.58 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -75.75 -30.43 21.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 114.967 -1.015 . . . . 75.34 111.229 -173.564 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.55 ' OE1' HG22 ' A' ' 5' ' ' ILE . 1.2 mp0 -68.03 -37.61 81.57 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.106 -0.702 . . . . 52.44 109.106 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.644 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 2.6 t60 -56.34 -43.2 78.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.947 -1.024 . . . . 75.34 109.273 174.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 66.8 mmtt -63.21 -51.08 67.72 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.817 -0.628 . . . . 73.23 110.843 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.744 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 57.4 t -53.97 -41.82 51.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.833 -0.621 . . . . 72.24 110.501 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.642 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 3.6 m-30 -65.73 -50.31 65.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.907 -0.588 . . . . 73.31 110.123 178.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.644 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 27.5 mm-40 -49.06 -45.0 42.28 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.282 0.845 . . . . 72.43 113.282 -173.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.507 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -94.85 -41.62 9.12 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.189 0.44 . . . . 63.32 112.189 -174.617 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.579 HD22 ' NH2' ' A' ' 54' ' ' ARG . 22.7 mt -65.5 -42.4 92.17 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.093 0.405 . . . . 72.54 112.093 -175.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.642 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 58.0 pttt -64.85 -25.41 67.89 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.893 -0.323 . . . . 71.33 110.558 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -73.22 -45.45 56.04 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.034 0.445 . . . . 71.23 110.444 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -62.86 -25.31 68.22 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.413 -0.812 . . . . 65.32 110.204 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.632 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 115.1 39.0 0.98 Allowed Glycine 0 N--CA 1.434 -1.48 0 CA-C-N 115.272 -0.876 . . . . 54.05 111.802 -178.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.553 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.7 t -125.6 135.45 52.21 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.265 -0.574 . . . . 52.34 111.171 175.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.53 -7.55 9.66 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.49 0.662 . . . . 72.33 109.54 170.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.477 ' OD1' ' HA ' ' A' ' 55' ' ' HIS . 14.1 t70 -91.32 81.91 5.46 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 115.325 -0.852 . . . . 74.35 111.329 -172.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.714 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 11.4 p90 -166.51 155.54 10.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.016 -0.993 . . . . 75.12 110.366 176.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.54 178.29 48.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.079 -0.581 . . . . 71.33 111.649 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.8 p -106.66 149.09 27.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.852 0.358 . . . . 70.14 111.088 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.4 pttt -129.97 143.12 50.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.116 0.484 . . . . 73.3 110.221 173.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.0 t -119.05 92.06 3.71 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.927 -0.768 . . . . 73.34 108.927 174.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.7 p -99.82 108.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.652 0.739 . . . . 64.45 110.142 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.0 mt -66.73 127.76 28.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.686 -0.688 . . . . 62.31 110.682 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -114.97 100.9 8.54 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.241 -0.89 . . . . 75.02 109.88 175.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.707 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 1.2 pm0 -75.47 107.91 7.92 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.245 -0.65 . . . . 73.22 109.245 176.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.2 t -65.92 107.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.845 -0.616 . . . . 71.5 110.407 -175.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.475 ' HA ' HD21 ' A' ' 44' ' ' LEU . 22.8 ttpp -74.25 81.16 1.83 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.206 -0.906 . . . . 62.34 110.712 -177.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.3 t -87.03 129.16 35.01 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.342 -0.845 . . . . 63.3 109.474 176.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 34' ' ' HIS . 36.8 m -79.29 172.57 13.61 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.203 -0.453 . . . . 73.04 110.49 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' A' ' 33' ' ' SER . 77.0 m-70 71.91 30.05 2.32 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.545 0.688 . . . . 44.42 109.851 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' H ' ' HG2' ' A' ' 35' ' ' LYS . 46.6 pttt -91.78 174.47 7.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.207 -0.906 . . . . 64.24 110.423 178.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.6 t -75.27 145.55 41.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.23 0.538 . . . . 60.44 111.632 -176.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.5 mt -115.7 123.12 47.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.726 -0.67 . . . . 75.45 109.922 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.861 ' HG ' ' H ' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -140.29 -69.26 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.092 0.472 . . . . 62.13 110.6 -176.239 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.861 ' H ' ' HG ' ' A' ' 38' ' ' LEU . 25.6 t-20 -145.3 -75.84 0.22 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.629 -1.249 . . . . 64.31 107.629 177.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 p -102.98 158.13 16.5 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 107.27 -1.382 . . . . 71.12 107.27 160.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -66.0 99.02 0.46 Allowed 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.156 -0.683 . . . . 62.33 109.156 174.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.47 ' H ' HD21 ' A' ' 38' ' ' LEU . 1.9 tm? -24.5 -73.0 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 O-C-N 125.049 1.468 . . . . 73.12 112.594 -174.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -147.84 105.97 3.74 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.756 -0.461 . . . . 75.44 109.756 176.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.516 HD23 ' HB2' ' A' ' 29' ' ' GLU . 40.4 tp -77.23 142.44 39.54 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.938 -0.574 . . . . 74.11 109.841 178.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.6 m -64.5 105.43 0.95 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.302 0.572 . . . . 72.33 110.29 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.707 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -106.17 152.15 23.83 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.811 -0.631 . . . . 74.23 110.649 -176.177 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -124.93 147.1 49.03 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.781 -0.645 . . . . 74.31 110.113 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.453 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 4.1 m-30 -84.54 108.67 17.43 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.243 -0.435 . . . . 64.43 110.441 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.05 77.42 1.98 Allowed Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.358 -0.697 . . . . 44.34 111.358 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.554 ' CE2' HG23 ' A' ' 67' ' ' VAL . 6.2 m-85 -72.11 131.98 43.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.764 0.316 . . . . 73.22 110.307 177.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.525 ' HB3' HD12 ' A' ' 58' ' ' ILE . 3.7 m -144.22 147.2 33.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.578 -0.283 . . . . 54.33 110.304 177.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.744 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 26.7 t80 -104.51 123.27 47.2 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.597 -0.519 . . . . 75.03 109.597 175.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -96.94 139.34 33.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.351 -0.84 . . . . 73.43 111.308 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.714 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -147.58 106.22 3.81 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.633 -0.877 . . . . 73.35 108.633 177.63 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.477 ' HA ' ' OD1' ' A' ' 20' ' ' ASP . 9.9 m-70 63.31 25.46 14.69 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.36 0.413 . . . . 61.12 112.053 -175.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.12 2.31 89.41 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.335 -0.936 . . . . 44.22 112.202 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -99.11 171.37 8.06 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.162 -0.681 . . . . 71.25 109.162 175.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.525 HD12 ' HB3' ' A' ' 51' ' ' SER . 22.2 mm -108.74 115.31 49.06 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.803 -0.635 . . . . 74.11 110.34 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.6 HG11 HD13 ' A' ' 89' ' ' LEU . 74.8 t -96.19 -37.35 7.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.13 -0.941 . . . . 74.44 109.979 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.453 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -130.75 146.94 52.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.954 -0.567 . . . . 63.03 110.788 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -148.03 134.88 20.09 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.099 -0.704 . . . . 74.11 109.099 177.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -157.49 103.99 0.24 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.158 -0.544 . . . . 42.45 111.759 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 35.8 ttmt -103.68 122.46 45.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.895 0.379 . . . . 70.11 110.67 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.7 m -146.79 159.74 43.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.11 -0.495 . . . . 52.44 110.48 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -74.68 -18.17 60.56 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.507 0.67 . . . . 74.44 109.901 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -110.45 127.62 55.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.554 -0.748 . . . . 75.44 109.85 176.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.554 HG23 ' CE2' ' A' ' 50' ' ' PHE . 2.7 p -53.03 -41.73 42.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 O-C-N 123.563 0.539 . . . . 74.11 111.335 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.24 -49.2 78.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 71.32 111.713 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -67.99 -39.56 83.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.771 0.32 . . . . 62.03 110.403 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.85 -47.33 86.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.535 . . . . 61.32 110.914 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.497 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 54.4 mtmt -61.76 -40.52 95.44 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 115.841 -0.618 . . . . 73.33 110.056 176.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.506 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 6.1 t80 -56.06 -49.63 73.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.274 -0.875 . . . . 75.11 110.998 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 45.2 mt -60.1 -54.65 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.71 -0.677 . . . . 55.24 111.532 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 3.1 ptt? -61.03 -39.37 89.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.434 -0.348 . . . . 75.25 110.776 -177.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.58 ' HA ' HG21 ' A' ' 5' ' ' ILE . 62.6 mttm -60.35 -45.27 94.08 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 121.18 -0.208 . . . . 54.2 111.186 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 14.4 mm100 -61.72 -25.89 67.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.726 0.298 . . . . 60.13 111.178 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.507 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 3.2 mmp_? -62.36 -61.99 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.327 -0.397 . . . . 70.55 110.685 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.779 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -66.35 -33.83 76.61 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.585 -0.446 . . . . 74.31 110.377 178.792 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -51.48 -50.76 59.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.745 -0.661 . . . . 71.53 110.181 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 11.5 mmmt -67.03 -27.62 67.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.393 -0.367 . . . . 72.22 111.232 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 87.7 mt -72.96 -39.31 66.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.67 -0.241 . . . . 63.42 111.12 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.558 HD21 HD11 ' A' ' 5' ' ' ILE . 1.7 pp -82.97 -24.11 33.09 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.879 -0.329 . . . . 74.4 111.541 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -74.66 -47.01 34.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.155 0.503 . . . . 72.13 110.35 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -82.48 -15.36 52.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.866 -0.607 . . . . 71.52 110.228 -176.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 85' ' ' LYS . 1.7 mmmp? 63.07 60.74 1.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.077 -0.965 . . . . 73.12 109.779 -176.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.8 m -103.03 143.39 32.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.876 -1.057 . . . . 72.22 110.535 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -68.64 -12.63 61.6 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.723 0.638 . . . . 73.13 112.723 -171.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.511 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -55.45 -37.61 67.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.711 0.291 . . . . 64.43 111.618 -174.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.779 HD22 ' HB3' ' A' ' 78' ' ' LEU . 24.6 tp -108.04 -27.48 10.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.429 0.633 . . . . 74.11 110.679 177.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.498 HD11 ' HA ' ' A' ' 82' ' ' LEU . 8.5 mt -104.75 18.97 21.3 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.502 -0.772 . . . . 71.54 112.7 -166.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -68.81 157.77 35.79 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 120.303 -0.559 . . . . 74.34 110.863 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 t -85.94 144.73 27.48 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.43 -0.804 . . . . 53.13 109.715 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 98' ' ' SER . 18.4 p -145.51 179.46 7.4 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.66 -0.7 . . . . 71.14 109.591 -176.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.451 ' OD1' ' HA ' ' A' ' 97' ' ' PHE . 2.3 t30 -113.57 73.1 0.8 Allowed 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.145 0.278 . . . . 63.12 110.546 178.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.632 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 58.3 m -94.46 2.49 55.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.52 0.676 . . . . 52.32 109.807 167.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.545 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 21.2 ptmt -155.56 -42.43 0.08 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.994 -1.003 . . . . 74.45 108.572 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.545 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 26.1 p90 -176.18 174.1 2.08 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 107.85 -1.167 . . . . 72.34 107.85 174.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' ' 93' ' ' CYS . 59.8 p -165.47 178.95 6.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.342 0.591 . . . . 75.33 111.3 172.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -104.01 144.29 31.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.005 -0.998 . . . . 62.05 109.854 -174.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -113.98 -169.55 1.54 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.419 0.628 . . . . 71.31 111.53 -174.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.663 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.783 0 CA-C-N 115.095 -0.957 . . . . 71.4 108.662 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.988 0.423 . . . . 61.22 110.234 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -130.05 4.56 4.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.339 -0.391 . . . . 74.52 110.639 177.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.19 -170.71 14.3 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.047 -0.821 . . . . 34.54 111.047 -175.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.678 ' HB2' ' HD2' ' A' ' 7' ' ' HIS . 7.0 m-20 -78.74 132.69 37.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.553 0.692 . . . . 64.11 111.252 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.602 HD11 HD21 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -64.03 -26.9 41.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.806 -1.088 . . . . 70.34 110.453 -177.2 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.423 ' OE1' HG22 ' A' ' 5' ' ' ILE . 1.9 mp0 -63.4 -38.44 91.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.396 -0.82 . . . . 62.43 110.271 -179.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.724 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 85.5 m-70 -65.25 -42.35 93.38 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.675 -0.491 . . . . 61.12 109.675 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -61.14 -49.48 77.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.767 -0.651 . . . . 73.32 111.259 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.466 HG11 ' CE2' ' A' ' 52' ' ' PHE . 10.9 p -64.71 -34.19 68.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.029 -0.532 . . . . 74.22 111.117 -177.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.463 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 19.8 m-30 -67.6 -37.74 82.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.483 -0.562 . . . . 72.42 109.483 176.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.724 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 26.1 mm-40 -56.46 -52.51 64.42 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.491 -0.777 . . . . 74.03 112.075 -172.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.471 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -86.87 -39.28 15.97 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.022 -0.536 . . . . 74.14 111.853 -173.629 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.471 ' H ' HD12 ' A' ' 12' ' ' LEU . 17.3 mt -63.38 -42.22 98.83 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.281 0.474 . . . . 43.02 112.281 -177.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 61.8 pttt -62.92 -32.19 73.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.966 0.412 . . . . 73.1 110.028 176.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.53 -37.91 74.15 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.765 -0.652 . . . . 71.42 110.645 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.551 ' HA ' ' HE2' ' A' ' 99' ' ' LYS . 4.4 mt-30 -68.98 -9.14 50.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.49 -0.777 . . . . 72.05 111.111 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.582 ' HA2' ' HD3' ' A' ' 96' ' ' LYS . . . 93.68 38.53 5.22 Favored Glycine 0 N--CA 1.437 -1.268 0 C-N-CA 120.627 -0.796 . . . . 74.12 111.445 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 2.9 t -120.16 142.86 48.57 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.709 -0.396 . . . . 72.51 111.278 175.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.54 3.42 7.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.52 0.676 . . . . 73.32 109.198 168.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -102.98 84.41 2.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.082 -0.963 . . . . 74.14 110.584 -171.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.629 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 18.2 p90 -173.11 149.5 1.83 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.727 -0.669 . . . . 71.33 110.855 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.83 -168.22 35.84 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.605 -0.598 . . . . 73.23 111.605 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.3 p -123.02 147.38 46.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 117.117 0.458 . . . . 74.12 110.922 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.53 ' HG2' ' HB2' ' A' ' 51' ' ' SER . 39.8 pttt -108.43 139.07 43.68 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.978 -0.749 . . . . 72.44 108.978 171.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.7 p -132.55 79.04 1.83 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.48 0.657 . . . . 64.13 109.689 176.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -118.54 137.58 52.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.315 -0.857 . . . . 74.11 110.207 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.3 mt -81.53 127.21 39.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 121.281 0.562 . . . . 72.31 109.839 175.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -120.02 104.8 10.44 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.469 -0.787 . . . . 71.22 109.524 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.667 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -78.1 133.04 37.93 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.364 -0.835 . . . . 70.33 109.528 -179.736 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.5 t -90.23 -97.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.395 -0.366 . . . . 30.24 111.31 -172.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -146.85 143.87 28.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.97 0.414 . . . . 73.1 111.098 -174.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.634 ' HB2' ' HG ' ' A' ' 44' ' ' LEU . 54.6 m -158.45 -163.0 1.19 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.442 -0.948 . . . . 73.52 108.442 175.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.1 m -74.54 110.77 9.1 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.759 -0.46 . . . . 72.13 109.759 172.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -86.64 -0.22 55.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.057 0.456 . . . . 70.24 110.886 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -81.42 12.42 3.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.15 -0.477 . . . . 73.04 111.378 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -96.3 122.84 39.6 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.297 0.57 . . . . 74.31 110.311 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -110.52 96.34 6.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.922 -0.581 . . . . 74.13 109.574 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.751 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 1.2 pt? -121.66 -32.83 3.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.004 -0.544 . . . . 60.13 111.568 -175.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 175.0 -82.61 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.447 -0.945 . . . . 70.33 108.447 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.0 p -104.95 -152.52 0.47 Allowed 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 106.827 -1.546 . . . . 73.45 106.827 165.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 41' ' ' GLU . 1.0 OUTLIER -85.31 61.08 6.64 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.894 0.854 . . . . 50.11 109.557 172.309 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.751 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 96.2 mt -75.95 150.6 37.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.772 -0.649 . . . . 73.11 110.854 -177.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 30.1 m80 62.38 20.36 11.78 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.776 -0.647 . . . . 75.24 111.996 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.634 ' HG ' ' HB2' ' A' ' 32' ' ' SER . 9.2 tt -90.52 142.87 27.3 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.514 -0.921 . . . . 64.32 108.514 175.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.3 m -58.38 107.12 0.45 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.113 0.482 . . . . 73.01 111.023 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.667 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -116.02 154.67 29.46 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.831 -0.622 . . . . 71.02 110.576 -176.359 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -128.12 150.57 49.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.987 -0.551 . . . . 74.22 109.965 177.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -87.83 117.09 26.44 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.296 -0.631 . . . . 72.52 109.296 173.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.01 84.72 1.36 Allowed Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 115.782 -0.645 . . . . 44.25 111.882 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.591 ' HE2' HG23 ' A' ' 67' ' ' VAL . 14.3 m-85 -88.55 127.55 35.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.975 0.416 . . . . 62.34 110.068 176.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.53 ' HB2' ' HG2' ' A' ' 24' ' ' LYS . 7.3 m -152.37 144.92 24.15 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.607 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.598 ' CG ' HD21 ' A' ' 78' ' ' LEU . 42.4 t80 -99.83 122.78 43.3 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 116.275 -0.421 . . . . 63.33 109.885 175.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -96.96 136.6 37.3 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.012 -0.995 . . . . 73.51 110.933 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.629 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.7 OUTLIER -144.99 104.94 4.03 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.331 -0.989 . . . . 64.14 108.331 176.756 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 8.5 m-70 68.26 24.32 7.5 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.414 0.446 . . . . 63.45 111.358 -173.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.43 -5.35 81.32 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.466 -0.873 . . . . 73.21 112.059 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -89.84 174.07 7.9 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.441 -0.577 . . . . 74.12 109.441 175.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.527 HD12 ' HB3' ' A' ' 51' ' ' SER . 25.8 mm -113.26 111.58 36.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.877 -0.601 . . . . 75.14 110.538 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.617 HG11 HD13 ' A' ' 89' ' ' LEU . 93.1 t -91.84 -38.63 10.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-N 115.158 -0.928 . . . . 72.32 109.852 176.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -126.78 130.86 51.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.642 -0.708 . . . . 74.31 110.373 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.603 ' HE1' ' HE2' ' A' ' 63' ' ' LYS . 2.8 t80 -134.22 131.51 38.62 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.828 -0.434 . . . . 71.33 109.828 174.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.81 102.2 0.3 Allowed Glycine 0 N--CA 1.44 -1.046 0 N-CA-C 111.147 -0.781 . . . . 72.22 111.147 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.603 ' HE2' ' HE1' ' A' ' 61' ' ' TYR . 6.9 tppt? -101.84 118.47 37.0 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.81 -0.441 . . . . 73.42 109.81 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.503 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 69.8 m -153.16 151.73 30.46 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.367 -0.378 . . . . 62.31 110.915 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -65.82 -28.63 69.13 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.101 -0.703 . . . . 73.41 109.101 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.686 ' HD2' ' HB2' ' A' ' 69' ' ' ASN . 40.1 ttmt -91.97 125.06 36.52 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.065 -0.971 . . . . 63.35 110.28 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.591 HG23 ' HE2' ' A' ' 50' ' ' PHE . 7.3 p -57.07 -45.16 84.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.988 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.17 -36.74 77.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.064 -0.516 . . . . 55.11 112.012 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.686 ' HB2' ' HD2' ' A' ' 66' ' ' LYS . 7.3 t30 -69.71 -45.54 67.99 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.104 0.478 . . . . 63.04 109.927 -178.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -57.0 -47.38 80.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.181 -0.918 . . . . 35.32 110.605 177.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.458 ' HG2' ' HE2' ' A' ' 75' ' ' LYS . 24.5 ttpt -62.41 -40.2 95.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 113.907 -1.497 . . . . 75.52 110.247 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -58.11 -49.19 77.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.612 -0.722 . . . . 71.02 110.78 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.489 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 57.0 mt -58.03 -53.97 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.522 -0.763 . . . . 74.33 111.517 -177.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.516 ' SD ' ' HB3' ' A' ' 50' ' ' PHE . 2.5 ptt? -61.36 -39.27 89.99 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.875 -0.33 . . . . 73.44 110.698 -178.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.602 ' HA ' HG21 ' A' ' 5' ' ' ILE . 47.7 mttm -57.05 -47.63 80.47 Favored 'General case' 0 N--CA 1.458 -0.058 0 CA-C-O 120.526 0.203 . . . . 75.45 110.773 177.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.416 ' HA ' ' HB3' ' A' ' 79' ' ' LEU . 85.4 mm-40 -67.47 -15.48 63.69 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.451 -0.34 . . . . 75.11 111.803 -178.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 36.0 mmt180 -67.61 -63.72 1.0 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.848 -0.427 . . . . 72.34 109.848 176.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.794 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -69.22 -31.53 70.17 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.529 -0.469 . . . . 74.11 110.331 -179.368 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.416 ' HB3' ' HA ' ' A' ' 76' ' ' GLN . 3.1 tm? -51.76 -50.48 60.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.135 0.493 . . . . 72.52 110.021 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.45 -29.82 68.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.978 -0.555 . . . . 75.25 111.215 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.562 ' HG ' ' HB2' ' A' ' 86' ' ' SER . 5.3 mp -69.42 -33.28 72.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.331 -0.395 . . . . 42.5 111.928 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.602 HD21 HD11 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -87.31 -20.89 26.16 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.764 -0.374 . . . . 72.42 111.216 178.209 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -74.76 -47.88 28.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.252 0.549 . . . . 63.14 110.16 174.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -88.5 -14.76 37.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.395 -0.821 . . . . 64.44 110.546 -177.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 66.77 37.3 4.23 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.51 -0.768 . . . . 71.41 110.887 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.562 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 3.0 m -67.49 135.93 53.82 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.214 -0.903 . . . . 72.32 110.222 178.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -69.25 -5.71 24.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.652 -0.249 . . . . 50.44 111.61 -176.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.441 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -59.92 -44.11 94.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.555 -0.293 . . . . 75.05 111.244 -177.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.794 HD22 ' HB3' ' A' ' 78' ' ' LEU . 19.4 tp -94.74 -28.54 15.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.506 0.669 . . . . 71.23 110.656 175.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.4 mt -104.57 22.76 14.43 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.274 -0.876 . . . . 72.12 113.136 -165.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -68.78 157.81 35.64 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 120.332 -0.547 . . . . 70.02 110.844 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.7 m -89.3 134.37 34.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.735 -0.666 . . . . 73.23 111.12 -176.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.8 p -128.3 -178.84 4.71 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.434 -0.803 . . . . 53.13 109.365 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -125.94 72.54 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.021 0.439 . . . . 73.54 110.681 176.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 17.3 m -80.55 -50.86 9.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.038 0.447 . . . . 63.11 110.242 173.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.582 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 18.5 ptmt -118.55 -36.71 3.44 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.861 -0.609 . . . . 72.24 109.781 177.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.468 ' CD2' ' HG3' ' A' ' 96' ' ' LYS . 21.6 p90 -159.66 -173.38 4.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.318 -0.855 . . . . 72.24 108.78 176.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.1 m -140.18 -163.98 1.62 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.0 0.428 . . . . 62.04 111.054 169.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.551 ' HE2' ' HA ' ' A' ' 16' ' ' GLN . 28.9 mmtp -101.97 145.26 29.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.038 -0.528 . . . . 64.45 112.358 -168.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.507 ' HG2' ' HG2' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -127.48 -13.56 5.42 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.16 -1.052 . . . . 73.24 108.16 162.684 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.507 ' HG2' ' HG2' ' A' ' 100' ' ' LYS . 73.7 mmtt . . . . . 0 C--O 1.247 0.933 0 CA-C-N 114.626 -1.17 . . . . 60.14 109.281 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 ptp . . . . . 0 N--CA 1.478 0.95 0 CA-C-O 120.756 0.313 . . . . 73.3 110.197 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -121.91 142.6 50.1 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.826 -0.435 . . . . 74.41 109.826 177.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 165.08 -156.74 28.89 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 110.849 -0.9 . . . . 72.0 110.849 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -126.56 136.81 53.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.407 0.622 . . . . 73.4 111.295 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.601 HG13 ' O ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -66.21 -28.98 45.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.001 -1.0 . . . . 72.33 112.144 -175.359 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.473 ' HA ' HG12 ' A' ' 9' ' ' VAL . 38.6 mt-10 -72.72 -28.19 62.51 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 120.292 -0.563 . . . . 73.24 109.82 -174.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.727 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 32.8 m170 -64.49 -47.17 79.93 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.078 -0.712 . . . . 73.4 109.078 170.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -57.41 -50.52 72.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.597 -0.729 . . . . 54.45 111.432 -177.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.522 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 14.7 p -63.26 -32.73 57.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.004 -0.544 . . . . 74.4 111.421 -176.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.463 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 17.2 m-30 -70.49 -37.58 74.22 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 108.923 -0.769 . . . . 61.23 108.923 175.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.727 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 26.4 mm-40 -57.82 -45.93 85.44 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.619 -0.719 . . . . 64.01 111.81 -172.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.551 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -92.6 -44.48 8.58 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.314 -0.403 . . . . 74.44 111.979 -174.312 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.551 ' H ' HD12 ' A' ' 12' ' ' LEU . 21.0 mt -60.9 -43.96 97.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.22 0.452 . . . . 75.54 112.22 -175.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 59.9 pttt -63.65 -27.58 69.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.1 0.476 . . . . 60.11 110.325 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -75.94 -33.1 59.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.854 -0.612 . . . . 73.01 110.478 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 5.1 mt-30 -79.38 -0.29 32.17 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.455 -0.793 . . . . 73.14 111.183 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.547 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 90.52 36.68 6.83 Favored Glycine 0 N--CA 1.439 -1.131 0 C-N-CA 120.387 -0.911 . . . . 73.35 111.608 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.618 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 2.8 t -123.67 128.81 50.19 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 120.488 -0.485 . . . . 53.41 110.192 174.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.498 ' OE1' ' HB3' ' A' ' 95' ' ' CYS . 1.9 pm0 -121.95 3.88 9.94 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.324 0.583 . . . . 73.42 109.993 173.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.64 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 29.1 t0 -103.96 85.63 2.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.384 -0.825 . . . . 74.53 110.683 -174.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -167.41 167.35 13.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.151 -0.932 . . . . 74.51 110.441 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.5 176.0 39.06 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.155 -0.545 . . . . 74.23 112.067 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 p -114.15 139.93 48.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.967 0.383 . . . . 63.14 111.305 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' CD ' ' HE1' ' A' ' 53' ' ' PHE . 47.5 pttt -117.42 156.36 28.07 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.898 -0.408 . . . . 71.14 109.898 173.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.4 p -140.42 72.16 1.39 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.508 0.67 . . . . 55.33 109.927 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 p -94.22 135.63 28.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.816 -0.629 . . . . 71.3 109.633 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.9 mt -75.84 127.4 37.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.229 0.537 . . . . 52.4 111.759 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -111.95 100.77 9.16 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.241 -0.89 . . . . 72.24 109.596 172.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.535 ' HA ' ' HB2' ' A' ' 46' ' ' LYS . 11.3 pt-20 -65.41 132.16 48.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.527 -0.76 . . . . 44.25 109.495 176.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -87.4 85.7 2.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.573 0.702 . . . . 73.55 110.224 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -81.99 101.64 10.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.163 -0.926 . . . . 75.45 109.592 175.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.9 t -123.19 -24.93 4.58 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.281 -0.872 . . . . 75.25 110.08 -176.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.0 t -139.24 -175.85 4.31 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.908 -0.587 . . . . 55.12 109.505 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -70.09 107.7 3.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.853 0.359 . . . . 75.14 110.368 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.748 ' HD3' HD22 ' A' ' 44' ' ' LEU . 53.2 pttt -94.7 174.23 7.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.117 -0.492 . . . . 71.34 110.218 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.498 HG21 ' HB3' ' A' ' 42' ' ' LEU . 8.7 t -70.04 137.32 51.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.093 0.473 . . . . 72.12 110.767 175.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.2 tp -108.3 112.22 24.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.904 -0.589 . . . . 52.51 110.217 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.683 HD21 ' H ' ' A' ' 42' ' ' LEU . 1.9 pt? -155.22 -172.02 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.389 -0.369 . . . . 72.32 110.935 178.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -40.37 -65.5 0.4 Allowed 'General case' 0 N--CA 1.468 0.438 0 O-C-N 124.169 0.918 . . . . 73.54 112.184 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.57 -158.4 0.72 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.366 -0.834 . . . . 72.44 108.939 178.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -95.31 99.28 11.24 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.965 -0.694 . . . . 62.1 110.484 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.683 ' H ' HD21 ' A' ' 38' ' ' LEU . 68.7 tp -47.83 -60.89 2.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.723 -1.126 . . . . 73.25 110.475 177.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -171.33 100.13 0.2 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.666 -0.697 . . . . 72.1 110.145 176.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.748 HD22 ' HD3' ' A' ' 35' ' ' LYS . 58.6 tp -119.21 150.58 39.83 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.52 -0.919 . . . . 70.34 108.52 170.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.1 m -60.22 102.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.347 -0.612 . . . . 55.41 109.347 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.535 ' HB2' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -122.21 151.27 41.2 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.908 -0.587 . . . . 73.15 110.431 -174.173 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.487 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 4.4 m-85 -121.61 148.1 44.99 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.119 -0.491 . . . . 54.44 110.57 -174.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.494 ' CE2' ' HB ' ' A' ' 67' ' ' VAL . 14.6 m-30 -83.97 113.38 20.95 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.952 -0.758 . . . . 74.54 108.952 173.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.85 76.83 1.97 Allowed Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.793 -0.718 . . . . 53.53 111.68 177.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.531 ' CE2' HG23 ' A' ' 67' ' ' VAL . 5.8 m-85 -76.73 111.66 12.48 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.841 -0.429 . . . . 64.33 109.841 177.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.52 ' HB3' HD12 ' A' ' 58' ' ' ILE . 0.9 OUTLIER -131.34 141.31 49.89 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.267 -0.424 . . . . 73.11 110.978 -175.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.583 ' CG ' HD21 ' A' ' 78' ' ' LEU . 39.4 t80 -101.1 121.63 42.14 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 109.718 -0.475 . . . . 72.42 109.718 173.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.465 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 21.5 m-85 -99.55 135.54 40.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.236 -0.893 . . . . 75.3 112.026 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -134.24 117.52 16.56 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.353 -0.98 . . . . 74.05 108.353 165.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.64 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 16.1 m-70 64.1 22.26 12.84 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.844 0.354 . . . . 72.12 111.911 -177.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.64 2.25 88.85 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.441 -0.885 . . . . 34.54 112.128 -177.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.465 ' O ' ' HA ' ' A' ' 53' ' ' PHE . 26.7 m-80 -95.79 169.49 9.97 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 109.809 -0.441 . . . . 75.12 109.809 176.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.52 HD12 ' HB3' ' A' ' 51' ' ' SER . 25.9 mm -107.51 110.65 32.62 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-N 115.653 -0.703 . . . . 75.11 110.526 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.659 HG11 HD13 ' A' ' 89' ' ' LEU . 87.8 t -90.99 -35.17 6.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 CA-C-N 115.13 -0.941 . . . . 74.31 109.556 176.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -138.83 140.21 38.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.696 -0.684 . . . . 72.01 110.971 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.401 ' HE1' ' HB2' ' A' ' 63' ' ' LYS . 2.3 t80 -143.51 125.58 15.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.869 0.366 . . . . 73.32 110.053 173.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.22 104.55 0.67 Allowed Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.688 -0.687 . . . . 72.31 111.558 176.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.487 ' HG3' ' HB3' ' A' ' 47' ' ' TYR . 3.0 tppp? -96.16 118.4 32.66 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.651 0.262 . . . . 71.23 110.669 -178.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.519 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 56.5 m -156.59 152.47 27.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.548 -0.296 . . . . 72.32 110.771 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 37.7 ttp180 -71.41 -28.64 64.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.731 -0.841 . . . . 62.12 108.731 176.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.551 ' HD2' ' HB2' ' A' ' 69' ' ' ASN . 22.7 ttmm -89.34 123.73 33.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.783 -1.099 . . . . 73.22 109.86 178.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.531 HG23 ' CE2' ' A' ' 50' ' ' PHE . 6.1 p -56.6 -44.35 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 123.38 0.425 . . . . 55.12 110.928 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.18 -37.61 88.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 74.21 111.55 -178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.551 ' HB2' ' HD2' ' A' ' 66' ' ' LYS . 5.6 t30 -73.58 -43.68 59.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.755 -0.461 . . . . 74.43 109.755 -178.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.519 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -61.29 -49.43 77.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.523 -0.762 . . . . 44.13 111.096 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.503 ' HE2' HG22 ' A' ' 67' ' ' VAL . 54.3 mtmt -55.77 -44.91 78.12 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 115.93 -0.577 . . . . 41.34 110.275 176.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.419 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 33.3 t80 -56.01 -49.89 72.4 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.139 -0.937 . . . . 72.23 111.202 -175.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.4 mt -57.82 -55.25 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.663 -0.699 . . . . 73.22 111.751 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.493 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.7 ptt? -62.66 -38.98 92.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.531 -0.304 . . . . 74.01 110.69 -178.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.601 ' O ' HG13 ' A' ' 5' ' ' ILE . 62.6 mttm -62.67 -42.58 99.7 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.67 -0.241 . . . . 74.11 111.193 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 30.4 mm-40 -62.12 -25.88 67.98 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.606 0.241 . . . . 64.14 111.243 177.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.557 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 16.0 mmm180 -62.22 -66.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 73.41 110.701 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.855 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -66.02 -30.51 71.06 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.225 -0.59 . . . . 62.11 110.836 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -53.4 -46.12 69.58 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.259 0.552 . . . . 72.21 109.825 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.82 -26.49 59.75 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.809 -0.632 . . . . 62.44 111.128 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 92.3 mt -73.22 -34.24 65.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.574 -0.285 . . . . 75.11 111.295 -178.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.59 HD21 HD11 ' A' ' 5' ' ' ILE . 1.4 pp -83.5 -21.18 32.87 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.805 -0.358 . . . . 73.01 111.013 177.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -83.44 -37.28 23.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 71.32 110.995 176.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -91.08 -11.35 38.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.177 0.513 . . . . 74.1 110.125 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 64.19 35.61 10.06 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.216 -0.902 . . . . 75.13 111.255 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.6 m -72.29 135.99 46.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.527 -0.761 . . . . 70.53 110.493 178.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -69.57 -1.71 9.51 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.205 0.446 . . . . 74.44 112.205 -175.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.24 -38.79 92.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.598 0.237 . . . . 72.31 111.201 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.855 HD22 ' HB3' ' A' ' 78' ' ' LEU . 18.9 tp -103.98 -15.78 15.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.263 0.554 . . . . 73.24 110.492 177.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.8 mt -115.78 21.02 14.21 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.759 -0.655 . . . . 72.0 112.764 -168.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -67.37 163.97 19.6 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.26 0.552 . . . . 53.25 112.098 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.6 m -81.23 140.36 34.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.411 -0.813 . . . . 43.02 111.325 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.1 p -149.52 165.91 30.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.924 -0.58 . . . . 74.41 109.457 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -115.17 83.54 1.93 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.172 0.511 . . . . 72.12 110.263 174.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.547 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 10.2 m -86.53 -10.34 54.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.088 -0.505 . . . . 62.11 110.252 169.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.52 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 17.6 ptmt -171.29 -37.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.304 -0.862 . . . . 64.53 109.286 -174.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.422 ' CD2' ' HG3' ' A' ' 96' ' ' LYS . 31.7 p90 -165.24 -172.99 2.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.044 -0.98 . . . . 73.44 108.368 175.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.6 m -148.26 178.18 8.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.908 0.385 . . . . 72.24 110.539 169.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.426 ' H ' ' HG2' ' A' ' 99' ' ' LYS . 52.2 mmtt -56.74 -67.96 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.977 -1.011 . . . . 65.23 110.912 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.419 ' HD2' ' H ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER 175.04 -28.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.127 -1.397 . . . . 75.5 107.349 -176.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.419 ' H ' ' HD2' ' A' ' 100' ' ' LYS . 2.2 mptm? . . . . . 0 C--O 1.251 1.162 0 CA-C-N 114.466 -1.243 . . . . 75.23 109.932 175.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 mmt . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 109.764 -0.458 . . . . 71.4 109.764 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.68 127.97 33.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.178 0.513 . . . . 54.42 109.688 175.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.75 -86.51 0.74 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.336 -0.935 . . . . 74.14 112.515 -175.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -120.89 135.68 55.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.816 0.817 . . . . 61.23 110.761 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.51 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -69.85 -24.56 26.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 114.907 -1.042 . . . . 74.41 110.727 -174.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -68.27 -42.27 79.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.066 -0.515 . . . . 75.33 110.093 -177.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.627 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 17.1 t-80 -57.78 -40.92 80.97 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.452 -0.574 . . . . 73.14 109.452 175.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.42 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 67.4 mmtt -59.68 -52.34 65.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 62.14 110.741 178.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.785 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 46.6 t -55.7 -43.85 74.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.145 -0.48 . . . . 72.4 110.561 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.42 ' CD1' ' HE1' ' A' ' 21' ' ' PHE . 13.4 m-30 -63.11 -48.47 78.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.062 -0.517 . . . . 73.14 109.634 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.627 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 20.4 mm-40 -50.66 -47.35 58.73 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 113.032 0.753 . . . . 54.53 113.032 -173.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.522 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -89.29 -45.72 9.3 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.713 -0.395 . . . . 72.43 111.711 -175.764 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.522 ' H ' HD12 ' A' ' 12' ' ' LEU . 20.1 mt -61.78 -44.67 96.41 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.274 0.472 . . . . 60.23 112.274 -175.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -63.31 -28.71 70.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.142 0.496 . . . . 73.31 110.096 178.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -75.84 -33.87 60.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.816 -0.629 . . . . 62.33 110.361 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 6.8 mt-30 -75.98 -3.1 33.74 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.479 -0.782 . . . . 73.44 109.934 176.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.723 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 87.13 45.83 5.23 Favored Glycine 0 N--CA 1.43 -1.731 0 C-N-CA 120.598 -0.81 . . . . 60.01 111.338 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 4.6 t -123.71 135.4 53.84 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 119.832 -0.747 . . . . 72.51 111.241 172.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.463 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -123.76 -4.04 8.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.352 0.596 . . . . 65.3 109.689 170.101 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -93.71 82.3 4.32 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.393 -0.821 . . . . 54.44 110.899 -175.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.421 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 20.4 p90 -169.48 162.13 10.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.989 -1.005 . . . . 73.34 110.32 176.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.64 167.63 33.6 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.99 -0.624 . . . . 55.42 112.135 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.1 p -95.26 150.17 20.53 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.592 0.234 . . . . 61.55 111.358 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.41 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -133.26 144.36 49.68 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.628 -0.508 . . . . 72.01 109.628 171.247 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.4 p -133.13 95.33 3.52 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.215 0.531 . . . . 72.1 110.012 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.3 p -111.72 142.32 24.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.812 -0.631 . . . . 73.23 109.579 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 64.6 mt -80.16 126.01 39.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 120.134 -0.626 . . . . 63.32 110.608 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -111.49 88.82 2.89 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 108.494 -0.928 . . . . 64.32 108.494 174.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.492 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 1.2 pm0 -70.83 149.79 46.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.894 -1.048 . . . . 72.54 111.592 -173.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.2 t -111.6 110.62 32.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.544 -0.753 . . . . 43.11 109.895 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -57.85 146.53 31.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.254 -0.885 . . . . 62.23 111.742 -177.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.2 p -80.0 156.91 26.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.906 -0.588 . . . . 65.33 110.392 177.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 m -66.94 -35.25 79.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.028 0.442 . . . . 52.02 110.811 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -102.27 165.87 10.89 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.776 -0.453 . . . . 72.53 109.776 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.727 ' H ' ' HD3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -87.45 167.21 14.2 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.993 -0.373 . . . . 75.11 109.993 177.223 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.811 HG21 ' HA ' ' A' ' 41' ' ' GLU . 3.2 p -95.27 152.23 18.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.899 0.381 . . . . 74.11 111.462 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -107.17 3.26 25.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 74.44 110.901 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.598 HD23 ' HB ' ' A' ' 36' ' ' THR . 1.6 pt? -104.9 -170.72 1.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.043 -0.354 . . . . 64.24 110.043 -179.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.573 ' OD1' HG23 ' A' ' 40' ' ' THR . 25.9 t-20 -54.28 -70.41 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 74.01 112.018 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.573 HG23 ' OD1' ' A' ' 39' ' ' ASN . 14.1 p -95.35 -110.35 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.169 0.509 . . . . 64.41 111.113 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.811 ' HA ' HG21 ' A' ' 36' ' ' THR . 0.0 OUTLIER -137.03 12.12 3.09 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.782 -0.645 . . . . 62.43 110.553 178.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 33.1 tp 65.24 15.71 10.15 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.495 -0.775 . . . . 52.41 111.058 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.411 ' HA ' ' OE2' ' A' ' 41' ' ' GLU . 75.2 t60 63.23 85.4 0.13 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.705 -0.679 . . . . 72.42 109.754 -173.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 pp -79.67 -174.13 4.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.216 -0.902 . . . . 62.3 111.631 -175.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.4 m -62.1 106.33 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.439 0.638 . . . . 75.11 110.778 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -115.85 157.53 24.31 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.282 -0.872 . . . . 54.51 109.761 -178.404 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -125.04 132.02 53.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.013 0.435 . . . . 62.03 110.293 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.627 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 3.4 m-30 -78.27 103.3 8.12 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.693 -0.685 . . . . 73.34 109.8 175.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.71 76.64 1.98 Allowed Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.887 -0.597 . . . . 55.43 111.962 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.528 ' HB3' ' SD ' ' A' ' 74' ' ' MET . 6.4 m-85 -73.75 119.03 17.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.942 0.401 . . . . 52.54 110.004 177.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.533 ' HB3' HD12 ' A' ' 58' ' ' ILE . 1.3 m -135.29 143.99 46.54 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.99 -0.55 . . . . 75.51 110.505 -176.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.785 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 22.6 t80 -106.41 123.64 48.37 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.799 -0.445 . . . . 62.44 109.799 173.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.41 ' CE1' ' HG2' ' A' ' 24' ' ' LYS . 7.3 m-85 -99.92 134.69 42.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.469 -0.787 . . . . 62.01 111.624 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.421 ' HG3' ' HB3' ' A' ' 21' ' ' PHE . 60.1 ttt180 -134.95 119.19 17.71 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.777 -0.823 . . . . 75.42 108.777 167.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 59.53 19.42 7.9 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.589 0.588 . . . . 74.12 112.589 -179.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.12 -4.3 62.57 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.458 -0.877 . . . . 73.35 112.884 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -98.11 171.66 8.1 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.048 0.452 . . . . 75.01 110.149 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.533 HD12 ' HB3' ' A' ' 51' ' ' SER . 23.8 mm -104.87 109.73 28.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.324 -0.853 . . . . 64.54 110.012 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.618 HG11 HD13 ' A' ' 89' ' ' LEU . 88.7 t -88.14 -36.12 8.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 115.058 -0.973 . . . . 73.05 109.622 177.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.448 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -136.75 138.22 40.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.566 -0.743 . . . . 71.23 110.695 178.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.486 ' HD1' ' HG ' ' A' ' 51' ' ' SER . 76.1 t80 -141.88 133.52 26.94 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.9 0.381 . . . . 73.32 110.087 173.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.478 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -156.77 104.63 0.26 Allowed Glycine 0 N--CA 1.438 -1.19 0 N-CA-C 111.119 -0.793 . . . . 54.02 111.119 175.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.627 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 20.0 pttm -101.15 151.91 21.27 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.363 -0.535 . . . . 73.5 109.564 176.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.8 t -165.73 162.42 18.65 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.697 -0.683 . . . . 54.33 109.67 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -68.11 -23.18 64.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.862 0.363 . . . . 74.35 110.348 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -108.44 139.26 43.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.97 -0.559 . . . . 71.12 110.843 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.508 HG23 ' CE2' ' A' ' 50' ' ' PHE . 3.0 p -60.5 -43.53 94.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.814 -0.63 . . . . 54.13 111.123 177.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.491 ' HA ' ' CE ' ' A' ' 71' ' ' LYS . . . -62.57 -43.6 98.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.602 -0.272 . . . . 72.44 111.729 -177.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -68.85 -46.2 69.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.312 -0.404 . . . . 72.21 110.376 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.1 -46.76 82.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.888 -0.596 . . . . 73.0 111.062 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.491 ' CE ' ' HA ' ' A' ' 68' ' ' ALA . 55.5 mtmt -55.42 -47.33 76.12 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.288 0.566 . . . . 70.1 110.223 174.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -55.22 -48.52 73.78 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.831 -1.077 . . . . 63.45 111.106 -174.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.493 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 37.6 mt -58.75 -54.71 29.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.758 -0.655 . . . . 74.34 111.626 -177.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.528 ' SD ' ' HB3' ' A' ' 50' ' ' PHE . 2.5 ptt? -64.44 -39.15 93.27 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.905 -0.318 . . . . 75.54 110.66 -176.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.51 ' HA ' HG21 ' A' ' 5' ' ' ILE . 60.2 mttm -61.18 -45.22 95.5 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.199 -0.2 . . . . 73.44 110.982 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -64.14 -20.27 65.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.57 -0.286 . . . . 73.15 111.271 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.494 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 37.6 mmt180 -66.56 -66.72 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.669 -0.241 . . . . 75.54 110.388 177.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.679 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -61.29 -33.67 73.94 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.546 -0.461 . . . . 73.22 110.221 178.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -52.64 -49.93 64.18 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.194 -0.457 . . . . 72.02 109.95 177.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -67.83 -28.56 67.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.356 -0.384 . . . . 55.41 110.937 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 93.1 mt -71.87 -38.08 70.09 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.634 -0.257 . . . . 60.31 111.048 -178.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.479 HD21 HD11 ' A' ' 5' ' ' ILE . 1.3 pp -80.64 -24.29 39.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.701 0.286 . . . . 74.1 110.839 176.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.96 -41.34 59.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.277 0.56 . . . . 54.34 111.036 175.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -88.79 -22.35 23.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.624 -0.716 . . . . 60.24 109.969 -175.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 66.64 56.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.364 -0.835 . . . . 72.34 109.902 -174.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.2 m -98.99 145.0 27.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.903 -1.044 . . . . 75.1 110.5 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -66.55 -11.43 52.95 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.718 0.636 . . . . 74.43 112.718 -173.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.505 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.8 mm? -56.57 -38.62 72.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.654 0.242 . . . . 74.22 111.654 -175.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.679 HD22 ' HB3' ' A' ' 78' ' ' LEU . 18.6 tp -109.74 -24.88 10.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.103 0.478 . . . . 74.05 111.069 177.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 mt -108.36 19.74 19.47 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 112.872 0.693 . . . . 65.53 112.872 -168.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -67.68 159.9 29.12 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.05 0.452 . . . . 75.21 111.183 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.7 m -77.98 134.22 37.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.58 -0.736 . . . . 62.33 110.358 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.431 ' O ' ' HB3' ' A' ' 98' ' ' SER . 8.2 p -137.58 171.23 14.76 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.204 -0.453 . . . . 64.51 109.936 178.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -111.76 75.05 0.9 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.883 -0.327 . . . . 73.41 111.264 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.723 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 74.3 m -94.68 -9.24 35.47 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 120.068 -0.653 . . . . 75.31 109.817 165.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.497 ' HD3' ' HA3' ' A' ' 17' ' ' GLY . 20.7 ptmt -147.75 -54.03 0.21 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.689 -0.687 . . . . 65.35 110.069 173.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.463 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 26.9 p90 -151.56 170.81 18.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.008 -0.738 . . . . 72.33 109.008 176.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.431 ' HB3' ' O ' ' A' ' 93' ' ' CYS . 28.2 p 179.07 -174.12 0.19 Allowed 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.295 0.569 . . . . 64.24 111.15 177.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -98.22 117.89 33.61 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.091 -0.959 . . . . 74.23 109.465 -177.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.91 120.58 35.36 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.865 -0.607 . . . . 70.42 111.244 -171.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 3.9 mptp? . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.446 -0.788 . . . . 64.51 109.93 174.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 mmt . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 110.139 -0.319 . . . . 73.34 110.139 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 2' ' ' LYS . 3.5 mptp? -73.41 99.29 2.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.967 0.413 . . . . 50.44 110.497 -176.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -118.3 138.15 13.58 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.877 -0.678 . . . . 64.01 112.361 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.446 ' CG ' ' HD1' ' A' ' 7' ' ' HIS . 2.5 p30 -92.5 155.13 18.03 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.64 0.733 . . . . 64.31 111.431 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.517 HD11 HD21 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -70.54 -26.2 28.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.805 -1.089 . . . . 75.23 110.72 -175.173 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -67.82 -42.38 81.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.123 -0.49 . . . . 72.04 109.759 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.674 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 2.5 m80 -53.92 -48.29 70.32 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.82 -0.627 . . . . 74.14 110.298 173.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -53.67 -53.59 49.78 Favored 'General case' 0 N--CA 1.463 0.21 0 O-C-N 123.687 0.617 . . . . 74.55 111.289 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.772 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 50.4 t -54.44 -43.05 61.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 71.1 110.914 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -70.48 -38.35 74.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.192 -0.458 . . . . 73.34 109.894 -177.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.674 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 20.0 mm-40 -55.08 -48.34 73.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.018 -0.537 . . . . 55.41 111.783 -174.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.572 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -92.56 -46.2 7.74 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.274 0.472 . . . . 74.31 112.274 -173.402 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.572 ' H ' HD12 ' A' ' 12' ' ' LEU . 22.7 mt -62.78 -44.0 97.34 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.562 0.579 . . . . 74.41 112.562 -174.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.667 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 13.4 pttm -66.49 -23.09 66.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.938 0.399 . . . . 75.53 110.118 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -82.84 -35.92 25.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.754 -0.657 . . . . 61.32 110.615 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -66.77 -38.62 86.92 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.362 0.601 . . . . 74.11 109.935 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.563 ' HA2' ' HD3' ' A' ' 96' ' ' LYS . . . 133.46 39.17 0.21 Allowed Glycine 0 N--CA 1.441 -1.003 0 CA-C-N 115.169 -0.923 . . . . 62.22 112.255 -177.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.667 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 2.9 t -127.78 134.69 49.5 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.385 -0.526 . . . . 73.33 110.908 173.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.45 1.92 9.6 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.479 0.657 . . . . 73.02 109.433 170.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.437 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 21.8 t0 -103.18 83.08 2.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.317 -0.856 . . . . 73.14 110.961 -171.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.459 ' HE2' ' HB3' ' A' ' 18' ' ' CYS . 11.2 p90 -169.09 161.82 10.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.42 -0.809 . . . . 72.1 110.393 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.8 171.74 37.12 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.75 -0.54 . . . . 74.42 111.75 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.2 p -95.24 150.98 19.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.062 0.458 . . . . 61.34 111.522 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.594 ' HE3' ' OG ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -132.38 133.22 43.68 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.198 -0.667 . . . . 72.4 109.198 171.492 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 p -131.25 80.23 1.93 Allowed 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.685 0.755 . . . . 43.21 109.889 176.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.7 p -107.15 140.07 26.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 114.977 -1.011 . . . . 75.31 109.393 -177.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.5 mt -68.25 128.17 31.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.576 0.703 . . . . 55.15 111.582 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -116.8 101.45 8.56 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.819 -1.082 . . . . 42.2 108.518 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.765 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -87.26 126.54 34.89 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.254 0.55 . . . . 73.3 110.555 -175.587 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.0 t -86.05 89.91 2.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.838 -0.619 . . . . 64.24 109.722 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.723 ' HA ' HD11 ' A' ' 44' ' ' LEU . 21.1 pttp -70.47 130.83 42.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.592 -0.731 . . . . 72.43 110.595 -177.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.4 t -89.35 167.65 12.87 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.382 -0.827 . . . . 65.22 109.995 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 p -62.8 -33.2 74.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.238 0.542 . . . . 75.42 109.755 174.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -95.14 111.78 23.57 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.922 -0.77 . . . . 74.42 108.922 171.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -63.66 -75.16 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.87 -0.605 . . . . 70.21 111.46 -177.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.412 ' HB ' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -166.71 150.22 6.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.052 -0.522 . . . . 70.54 109.866 -178.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -116.46 67.92 0.73 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.829 -0.434 . . . . 61.21 109.829 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.805 HD11 ' HB2' ' A' ' 42' ' ' LEU . 2.6 pt? -168.73 -162.09 0.37 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.768 -0.651 . . . . 74.43 109.999 176.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.4 ' HB3' ' H ' ' A' ' 40' ' ' THR . 5.0 t30 -53.03 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.602 0.715 . . . . 73.41 111.452 -178.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.701 HG22 ' H ' ' A' ' 41' ' ' GLU . 4.0 m -119.87 -175.18 2.92 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 107.841 -1.17 . . . . 54.35 107.841 178.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.701 ' H ' HG22 ' A' ' 40' ' ' THR . 36.5 mt-10 -70.17 94.87 0.93 Allowed 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.446 -0.575 . . . . 73.54 109.446 174.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.805 ' HB2' HD11 ' A' ' 38' ' ' LEU . 3.1 tm? -44.01 -60.84 1.67 Allowed 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.889 0.743 . . . . 75.12 110.241 178.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -160.65 103.15 1.36 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.114 -0.948 . . . . 55.02 109.129 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.723 HD11 ' HA ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -75.53 131.63 40.19 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.052 -1.092 . . . . 72.24 108.052 177.005 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.419 ' N ' HD13 ' A' ' 44' ' ' LEU . 11.5 m -58.19 98.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 73.24 110.462 -178.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.765 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -110.34 157.2 19.77 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.042 -0.981 . . . . 54.44 109.965 -174.497 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -132.43 141.24 48.76 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.921 -0.582 . . . . 65.41 109.613 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -73.16 108.41 6.03 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.23 -0.441 . . . . 73.33 109.941 177.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.05 76.53 1.76 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.838 -0.696 . . . . 71.12 111.637 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.681 ' CE1' HG23 ' A' ' 67' ' ' VAL . 1.5 m-85 -78.67 124.76 28.52 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.016 0.436 . . . . 64.24 110.063 177.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.691 ' HG ' ' HD1' ' A' ' 61' ' ' TYR . 2.8 m -150.51 154.83 38.33 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.313 -0.403 . . . . 73.53 110.733 -178.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.772 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 27.1 t80 -112.44 123.94 51.4 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.273 -0.64 . . . . 74.41 109.273 172.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.526 ' CE2' ' HG2' ' A' ' 24' ' ' LYS . 3.4 m-85 -99.49 140.59 33.45 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.406 -0.815 . . . . 72.42 111.646 -177.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -143.57 117.22 9.22 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.409 -0.814 . . . . 75.24 108.828 168.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.437 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 16.5 m-70 62.92 21.2 12.72 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.081 0.4 . . . . 73.2 112.081 -178.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.46 7.6 84.44 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.231 -0.985 . . . . 63.25 112.41 -177.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -101.66 175.19 5.64 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 109.455 -0.572 . . . . 74.44 109.455 174.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.497 HD12 ' HB3' ' A' ' 51' ' ' SER . 23.2 mm -113.07 114.92 48.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.398 0.618 . . . . 72.3 110.422 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.663 HG11 HD13 ' A' ' 89' ' ' LEU . 96.3 t -93.33 -34.87 6.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 115.15 -0.932 . . . . 75.42 109.429 175.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.54 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -133.25 135.16 44.78 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.402 -0.817 . . . . 71.12 110.369 179.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.691 ' HD1' ' HG ' ' A' ' 51' ' ' SER . 65.3 t80 -142.0 128.08 19.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.836 0.35 . . . . 75.35 110.156 175.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.509 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -148.57 99.89 0.2 Allowed Glycine 0 N--CA 1.44 -1.079 0 N-CA-C 111.028 -0.829 . . . . 35.31 111.028 177.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -96.5 122.77 39.76 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.823 0.344 . . . . 72.31 110.403 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.438 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 57.4 m -152.08 158.2 42.67 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.351 -0.386 . . . . 71.31 110.544 178.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -69.39 -29.49 67.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.982 0.42 . . . . 70.3 110.434 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.469 ' NZ ' ' HB2' ' A' ' 66' ' ' LYS . 2.2 ttmp? -104.26 129.1 52.09 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.248 -0.433 . . . . 64.54 110.264 177.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.681 HG23 ' CE1' ' A' ' 50' ' ' PHE . 2.2 p -52.46 -47.39 47.57 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 115.659 -0.7 . . . . 72.22 111.869 -177.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.46 -40.56 75.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.406 0.521 . . . . 63.45 112.406 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 72' ' ' TYR . 7.0 t30 -73.41 -46.84 46.31 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.123 0.487 . . . . 74.14 110.036 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.438 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -56.99 -47.04 81.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.326 -0.852 . . . . 73.51 110.759 178.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.452 ' HG2' ' HE2' ' A' ' 75' ' ' LYS . 30.1 ttpt -64.53 -37.66 88.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.323 -1.308 . . . . 75.12 110.151 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.405 ' HB3' ' O ' ' A' ' 69' ' ' ASN . 36.2 t80 -58.8 -49.73 76.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.269 -0.878 . . . . 74.11 110.876 178.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.538 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 34.8 mt -59.31 -49.78 82.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.829 -0.623 . . . . 62.23 110.565 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 59.0 ttp -52.38 -53.75 40.77 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.579 -0.737 . . . . 75.33 110.998 177.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.457 ' HA ' HG21 ' A' ' 5' ' ' ILE . 50.9 mttm -59.55 -48.24 82.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.653 -0.703 . . . . 65.04 111.464 -177.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -59.61 -25.68 64.83 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.765 0.283 . . . . 71.52 111.765 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.547 ' NE ' ' HA ' ' A' ' 77' ' ' ARG . 3.2 mmp_? -63.26 -66.05 0.6 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.691 -0.231 . . . . 65.21 110.954 177.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.568 HD21 ' CG ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -68.39 -32.9 73.29 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 119.868 -0.733 . . . . 71.2 110.611 -178.164 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -50.86 -48.36 60.18 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.422 -0.585 . . . . 71.35 109.422 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -66.92 -34.27 77.4 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.806 -0.634 . . . . 72.52 111.226 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.58 ' HG ' ' HB2' ' A' ' 86' ' ' SER . 4.8 mp -68.54 -35.25 77.18 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.278 -0.419 . . . . 62.14 111.933 -177.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.517 HD21 HD11 ' A' ' 5' ' ' ILE . 0.9 OUTLIER -87.37 -21.38 25.69 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.846 -0.341 . . . . 61.53 111.516 179.324 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -80.71 -48.79 12.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.278 0.561 . . . . 73.24 110.547 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 85' ' ' LYS . 9.4 t70 -79.04 -21.08 47.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.663 -0.699 . . . . 74.35 110.275 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 84' ' ' ASP . 13.7 mmmm 72.46 38.71 0.79 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.141 -0.936 . . . . 72.0 110.911 -178.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.58 ' HB2' ' HG ' ' A' ' 81' ' ' LEU . 5.6 m -71.5 128.18 34.99 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.24 -0.891 . . . . 61.2 109.721 175.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -67.83 1.23 2.7 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.607 0.595 . . . . 74.53 112.607 -174.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.86 -39.51 87.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.738 0.304 . . . . 61.13 110.962 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.663 HD13 HG11 ' A' ' 59' ' ' VAL . 14.3 tp -94.69 -19.7 20.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.014 0.435 . . . . 72.44 110.759 175.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.3 mt -111.96 17.63 19.52 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 113.44 0.904 . . . . 64.11 113.44 -166.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -65.77 162.21 19.2 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.12 0.486 . . . . 75.5 111.718 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.5 m -87.92 145.71 25.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.65 -0.704 . . . . 72.23 111.354 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.1 p -150.94 162.24 41.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.515 -0.766 . . . . 74.41 109.062 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -105.15 73.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.55 0.214 . . . . 63.42 111.256 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 11.7 m -80.92 -45.42 16.76 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.283 -0.567 . . . . 73.14 110.088 170.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.563 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 21.8 ptmt -114.12 -37.64 4.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.917 -0.583 . . . . 75.11 109.598 175.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.428 ' CD2' ' HG3' ' A' ' 96' ' ' LYS . 23.1 p90 -169.37 -176.11 2.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.596 -0.89 . . . . 75.24 108.596 175.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.4 m -154.66 174.44 14.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.09 0.472 . . . . 61.23 110.42 170.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -104.81 125.09 50.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.092 -0.958 . . . . 74.24 108.972 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -84.43 107.0 16.45 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.964 -0.384 . . . . 74.54 109.964 -176.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.431 ' HD2' ' HA ' ' A' ' 101' ' ' LYS . 5.0 mmmp? . . . . . 0 C--O 1.247 0.94 0 CA-C-N 114.62 -1.173 . . . . 54.43 111.659 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ttt . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 120.906 0.384 . . . . 74.23 110.471 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.94 154.56 19.76 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.305 -0.628 . . . . 62.44 109.305 175.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 129.61 57.82 0.1 Allowed Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 120.312 -0.947 . . . . 62.5 111.608 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -75.22 74.18 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.115 0.959 . . . . 75.42 109.976 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.583 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -61.46 -27.81 42.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 114.143 -1.389 . . . . 71.15 110.422 -178.897 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mp0 -64.75 -37.07 86.36 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.309 -0.859 . . . . 71.5 110.031 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.743 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 29.6 m170 -67.97 -42.69 80.46 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.506 -0.478 . . . . 74.34 109.978 175.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -58.79 -48.84 79.85 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 123.339 0.399 . . . . 64.34 110.617 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.441 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 10.4 p -65.57 -35.13 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.906 -0.588 . . . . 70.42 111.034 -177.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.447 ' CD1' ' HE1' ' A' ' 21' ' ' PHE . 15.3 m-30 -70.04 -33.42 71.94 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 109.771 -0.455 . . . . 74.42 109.771 177.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.743 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 27.0 mm-40 -56.3 -60.18 3.87 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.967 -0.56 . . . . 63.21 111.792 -175.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.463 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -82.44 -35.81 27.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.453 -0.794 . . . . 65.44 112.101 -172.475 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.463 ' H ' HD12 ' A' ' 12' ' ' LEU . 21.1 mt -63.26 -47.32 82.88 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.634 -0.426 . . . . 72.12 111.828 -179.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -65.25 -24.42 67.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.222 0.534 . . . . 52.24 109.926 178.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.423 ' HB3' ' O ' ' A' ' 12' ' ' LEU . 31.6 t70 -73.05 -46.5 51.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.507 -0.769 . . . . 71.2 110.718 178.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -65.22 -33.67 76.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.729 -0.669 . . . . 55.2 110.015 178.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.597 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 121.27 36.2 0.76 Allowed Glycine 0 N--CA 1.439 -1.12 0 CA-C-N 115.312 -0.858 . . . . 65.04 112.005 -179.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 13' ' ' LEU . 4.0 t -110.0 145.42 37.01 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.43 -0.508 . . . . 74.31 110.794 174.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -133.5 -5.69 2.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.562 0.696 . . . . 70.01 110.116 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.486 ' OD1' ' HA ' ' A' ' 55' ' ' HIS . 14.0 t70 -106.16 88.28 2.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.625 -0.716 . . . . 64.51 110.41 -172.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.447 ' HE1' ' CD1' ' A' ' 10' ' ' TYR . 10.0 p90 -168.06 147.26 4.66 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.126 -0.943 . . . . 72.32 110.406 178.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.39 -171.74 34.56 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.712 -0.555 . . . . 63.24 111.712 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.2 p -126.21 147.07 49.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.839 0.32 . . . . 74.42 111.066 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.541 ' HG2' ' HB3' ' A' ' 51' ' ' SER . 41.0 pttt -113.33 137.19 51.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.02 0.438 . . . . 51.53 109.932 173.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.5 p -121.33 75.85 1.2 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.643 0.735 . . . . 71.02 109.525 175.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.8 t -105.51 119.98 55.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.266 -0.879 . . . . 55.11 111.135 -172.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.6 mt -74.73 128.11 36.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 119.98 -0.688 . . . . 74.13 109.784 172.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -131.19 108.27 9.6 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.645 -0.707 . . . . 71.11 109.144 -178.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.731 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -78.79 159.72 27.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.856 -0.611 . . . . 72.15 111.151 -171.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.6 t -132.7 121.89 45.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.353 -0.61 . . . . 62.41 109.353 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -71.6 78.96 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.163 0.506 . . . . 72.13 110.904 -178.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.8 t -89.22 -35.0 16.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.695 -0.684 . . . . 74.35 110.352 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -97.02 141.67 29.9 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.709 -0.478 . . . . 61.12 109.709 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -108.01 11.45 27.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.836 -178.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -128.99 78.99 1.89 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.076 0.465 . . . . 72.24 111.156 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.403 HG21 HD23 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -110.63 82.6 1.62 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.355 0.598 . . . . 60.52 110.762 175.154 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.4 mt -99.34 1.25 44.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.391 -0.822 . . . . 74.03 111.016 -177.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 42' ' ' LEU . 1.3 pt? -74.88 130.68 39.83 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.684 -0.487 . . . . 73.34 109.684 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 31.85 -93.37 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 O-C-N 124.732 1.27 . . . . 73.33 112.126 174.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.63 73.28 1.42 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.996 -0.547 . . . . 74.11 111.21 174.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 52.0 33.06 11.13 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.514 -0.766 . . . . 73.42 112.095 176.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.71 ' HB2' HD11 ' A' ' 38' ' ' LEU . 81.7 mt -60.78 -39.13 87.71 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 112.501 0.556 . . . . 64.24 112.501 -176.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.575 ' N ' HD11 ' A' ' 38' ' ' LEU . 17.1 m80 -106.18 91.52 3.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.129 0.49 . . . . 52.44 110.784 178.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.496 HD13 ' N ' ' A' ' 45' ' ' THR . 2.5 tm? -127.93 147.23 50.47 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.01 -1.107 . . . . 72.42 108.01 177.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.496 ' N ' HD13 ' A' ' 44' ' ' LEU . 1.8 m -56.56 107.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.034 0.445 . . . . 63.43 110.995 -179.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.731 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -120.07 151.04 39.61 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.038 0.446 . . . . 62.34 110.407 -178.739 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -128.48 150.87 49.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.886 -0.597 . . . . 63.14 109.854 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -87.69 117.12 26.29 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 109.572 -0.529 . . . . 72.11 109.572 173.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.98 82.71 1.09 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 121.007 -0.616 . . . . 72.25 111.641 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.619 ' HE1' HG23 ' A' ' 67' ' ' VAL . 3.0 m-85 -78.58 139.24 38.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.668 0.271 . . . . 62.44 110.49 177.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.692 ' OG ' HD12 ' A' ' 58' ' ' ILE . 8.9 t -161.71 140.44 9.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.352 -0.386 . . . . 53.44 110.753 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.56 ' CG ' HD21 ' A' ' 78' ' ' LEU . 52.3 t80 -98.23 124.08 42.64 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 109.704 -0.48 . . . . 75.23 109.704 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -95.02 138.1 33.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.269 -0.878 . . . . 71.42 111.73 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.461 ' HB3' HG23 ' A' ' 59' ' ' VAL . 14.2 tpt180 -141.74 104.63 4.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.124 -0.944 . . . . 65.12 109.627 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.486 ' HA ' ' OD1' ' A' ' 20' ' ' ASP . 6.0 m-70 59.36 29.76 19.37 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.965 0.412 . . . . 61.34 111.163 -178.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.49 -3.37 86.62 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.73 -0.747 . . . . 71.3 112.41 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -97.58 175.7 6.11 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 109.273 -0.64 . . . . 75.31 109.273 177.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.692 HD12 ' OG ' ' A' ' 51' ' ' SER . 30.8 mm -116.37 121.28 67.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-O 121.403 0.62 . . . . 73.43 110.779 -178.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.63 HG11 HD13 ' A' ' 89' ' ' LEU . 89.6 t -101.68 -39.58 6.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.094 -0.957 . . . . 54.14 109.854 177.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.47 ' HB3' ' CB ' ' A' ' 52' ' ' PHE . . . -123.92 139.77 53.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.764 -0.653 . . . . 74.02 110.491 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -148.43 136.21 20.78 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.524 -0.547 . . . . 74.12 109.524 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -151.49 105.34 0.28 Allowed Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.607 -0.597 . . . . 64.11 111.607 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -93.56 120.6 34.03 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.888 -0.412 . . . . 73.24 109.888 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.538 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 62.2 m -150.57 155.05 38.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.207 0.527 . . . . 72.44 111.939 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -67.97 -23.61 65.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.445 -0.798 . . . . 65.45 110.533 175.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -105.14 126.83 52.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.62 -0.718 . . . . 63.44 110.576 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.619 HG23 ' HE1' ' A' ' 50' ' ' PHE . 7.2 p -56.76 -38.76 59.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 115.902 -0.59 . . . . 70.23 111.032 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.581 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . . . -70.25 -42.32 72.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.35 -0.386 . . . . 52.23 111.779 178.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -64.91 -45.82 84.29 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.989 0.423 . . . . 70.13 110.346 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.538 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -58.94 -43.54 91.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.969 0.89 . . . . 43.21 110.34 177.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.581 ' HE3' ' HA ' ' A' ' 68' ' ' ALA . 19.4 ttpp -62.43 -40.6 97.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.054 -1.43 . . . . 73.53 110.201 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -59.27 -48.81 80.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.993 -1.003 . . . . 65.32 110.837 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.0 mt -60.02 -49.73 82.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.865 -0.607 . . . . 72.01 110.897 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.494 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 56.0 ttp -50.93 -51.5 51.62 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.764 -0.653 . . . . 74.43 110.716 175.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.583 ' HA ' HG21 ' A' ' 5' ' ' ILE . 44.2 mttm -58.7 -49.19 78.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.604 -0.725 . . . . 52.32 111.539 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -59.2 -27.49 65.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.515 -0.311 . . . . 75.13 111.673 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 74' ' ' MET . 23.9 mmm180 -58.76 -66.29 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.425 -0.352 . . . . 74.23 111.1 176.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.738 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -67.01 -31.89 72.74 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 120.204 -0.598 . . . . 74.25 110.147 -179.269 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -51.31 -48.08 62.42 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.865 -0.607 . . . . 62.32 110.561 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 8.3 mmmt -70.38 -32.47 70.15 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.866 -0.334 . . . . 71.14 110.906 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.604 HD23 ' HB2' ' A' ' 89' ' ' LEU . 4.1 mp -64.85 -43.59 92.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.719 -0.219 . . . . 64.42 111.552 -178.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.56 HD21 HD11 ' A' ' 5' ' ' ILE . 1.2 pp -78.62 -19.21 53.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.814 0.34 . . . . 53.31 111.563 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -84.89 -41.3 16.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.032 0.444 . . . . 75.11 111.036 176.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.12 -11.87 48.79 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.685 -0.689 . . . . 75.21 110.132 -176.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp 64.07 39.04 8.07 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.545 -0.752 . . . . 74.32 111.505 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.4 m -79.72 134.56 36.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.331 -0.85 . . . . 75.02 109.888 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.436 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 3.9 p-10 -74.07 5.17 4.56 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.192 0.442 . . . . 72.21 112.192 -172.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.86 -43.86 87.16 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 121.12 -0.232 . . . . 75.42 111.044 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 78' ' ' LEU . 12.8 tp -100.46 -15.47 17.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.482 0.658 . . . . 71.21 110.774 174.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.457 HD11 ' HA ' ' A' ' 82' ' ' LEU . 13.9 mt -110.36 25.92 11.25 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 113.148 0.796 . . . . 74.2 113.148 -170.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.436 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 27.8 p90 -79.56 159.55 26.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.939 0.4 . . . . 71.54 111.41 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.2 p -88.69 147.14 24.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.954 -0.566 . . . . 63.02 110.431 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 22.1 p -141.37 -173.0 3.63 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.937 -0.574 . . . . 62.14 110.086 -175.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.562 ' HA ' ' O ' ' A' ' 97' ' ' PHE . 3.6 t-20 -112.95 65.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.589 0.233 . . . . 61.45 111.255 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.597 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 13.5 m -92.25 -6.87 49.64 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.977 -0.452 . . . . 74.51 110.718 172.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.477 ' HE2' ' CD2' ' A' ' 97' ' ' PHE . 17.5 ptmt -158.07 -42.27 0.06 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.019 0.438 . . . . 74.05 110.78 -178.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.562 ' O ' ' HA ' ' A' ' 94' ' ' ASN . 25.7 p90 -143.47 -177.77 5.55 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.602 -0.888 . . . . 54.05 108.602 175.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.1 p -174.61 146.57 1.01 Allowed 'General case' 0 CA--C 1.515 -0.382 0 O-C-N 123.395 0.434 . . . . 71.4 110.852 172.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt 61.29 78.01 0.31 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.25 -0.886 . . . . 61.32 112.041 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.406 ' HB3' ' HE2' ' A' ' 100' ' ' LYS . 33.6 ttpt -99.7 -50.2 4.13 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.018 -1.104 . . . . 72.44 108.018 171.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.461 ' HD2' ' HA ' ' A' ' 101' ' ' LYS . 14.2 tptt . . . . . 0 C--O 1.252 1.233 0 CA-C-N 114.531 -1.213 . . . . 53.35 109.023 173.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 120.822 0.344 . . . . 72.54 110.726 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -137.46 114.18 10.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.825 -0.625 . . . . 70.12 109.675 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.54 127.17 8.23 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.786 -0.721 . . . . 64.31 112.197 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -96.0 43.66 1.08 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.651 0.241 . . . . 74.23 111.651 -176.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.566 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -61.83 -32.95 55.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 120.623 0.249 . . . . 73.43 110.552 -178.557 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -64.93 -33.85 77.02 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.145 0.497 . . . . 55.32 109.981 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.596 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 6.5 t-160 -63.09 -46.29 88.08 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.122 -0.695 . . . . 74.41 109.122 176.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 59.5 mmtt -61.58 -52.23 65.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.624 -0.716 . . . . 63.12 111.246 -175.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.647 HG22 HD22 ' A' ' 13' ' ' LEU . 3.7 p -61.76 -41.14 89.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 71.21 111.89 -175.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.422 ' CD1' HG13 ' A' ' 9' ' ' VAL . 12.3 m-30 -71.5 -27.63 63.35 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.571 -0.452 . . . . 73.32 110.067 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 16.5 mm-40 -57.3 -54.46 46.53 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.866 -0.607 . . . . 61.41 111.312 -177.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.657 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -85.54 -41.43 15.3 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.671 -0.695 . . . . 73.14 111.108 -175.614 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.814 HD23 ' CD2' ' A' ' 21' ' ' PHE . 2.9 mp -51.84 -45.78 64.12 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.136 0.791 . . . . 71.12 113.136 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.515 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 18.2 pttm -66.16 -29.27 69.53 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.97 -0.381 . . . . 74.14 109.97 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -73.57 -41.67 62.62 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.399 0.619 . . . . 65.34 110.442 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.657 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 21.7 mt-30 -64.1 -9.55 17.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.999 -1.0 . . . . 44.21 110.784 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.665 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 92.47 33.65 7.44 Favored Glycine 0 N--CA 1.433 -1.514 0 CA-C-N 115.55 -0.75 . . . . 55.22 111.778 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.522 ' HB3' ' HE2' ' A' ' 21' ' ' PHE . 2.3 t -115.7 139.95 49.66 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 120.164 -0.614 . . . . 61.14 111.174 173.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.404 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -120.92 -8.69 9.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.154 0.502 . . . . 74.11 109.994 168.862 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.593 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 21.6 t0 -93.1 88.35 6.06 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.489 -0.778 . . . . 41.31 111.235 -173.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.814 ' CD2' HD23 ' A' ' 13' ' ' LEU . 6.2 p90 -168.1 165.49 13.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.776 -1.102 . . . . 73.15 111.122 177.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.65 -179.38 42.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.221 -0.514 . . . . 71.41 112.21 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.1 p -112.76 134.58 54.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.785 0.292 . . . . 65.31 110.949 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HG2' ' HB2' ' A' ' 51' ' ' SER . 0.2 OUTLIER -102.88 149.0 24.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.876 -0.416 . . . . 73.53 109.876 177.814 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.9 p -144.76 96.57 2.88 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.286 0.565 . . . . 72.1 110.41 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.2 p -137.6 143.24 34.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.861 -0.609 . . . . 64.2 109.448 178.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 64.7 mt -74.18 127.87 36.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.231 0.539 . . . . 70.32 110.72 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -118.75 92.9 3.92 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.457 -0.942 . . . . 53.52 108.457 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -81.61 141.85 33.32 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.721 -1.127 . . . . 75.32 111.335 -169.711 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.8 t -95.69 122.73 47.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.559 -0.746 . . . . 55.54 109.077 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -76.59 61.34 1.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.967 0.413 . . . . 71.44 111.82 -172.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.2 t -81.48 -43.7 18.45 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.152 -0.685 . . . . 62.41 109.152 174.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.0 m -104.64 86.41 2.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.603 -0.726 . . . . 72.4 109.668 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -96.75 -39.78 9.29 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.526 -0.546 . . . . 61.12 109.526 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.2 117.97 29.36 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.158 -0.682 . . . . 63.42 109.158 175.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 t -133.86 173.18 11.83 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.874 -0.603 . . . . 74.23 109.948 -173.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -96.74 20.61 10.65 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.007 0.373 . . . . 53.35 112.007 -172.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.814 HD11 ' HB2' ' A' ' 42' ' ' LEU . 1.3 pt? -142.43 -179.79 6.49 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.945 -0.302 . . . . 70.41 110.33 174.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -52.47 -73.46 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.908 0.755 . . . . 64.44 112.095 -175.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.22 167.13 10.52 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.414 -0.812 . . . . 75.21 109.704 -179.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -58.69 97.3 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 O-C-N 123.13 0.269 . . . . 72.01 110.729 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.814 ' HB2' HD11 ' A' ' 38' ' ' LEU . 59.7 tp -46.92 -59.14 3.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.532 0.682 . . . . 74.05 109.407 172.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.3 p-80 -164.81 161.48 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.967 -1.123 . . . . 73.41 107.967 169.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -155.0 -171.38 3.81 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.688 -0.486 . . . . 70.24 109.688 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 m -66.38 94.78 0.28 Allowed 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.533 0.682 . . . . 71.33 110.211 177.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -114.55 153.97 29.11 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.493 -0.776 . . . . 74.12 110.146 -175.379 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -130.73 131.95 45.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.128 -0.487 . . . . 73.24 110.463 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.543 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 4.9 m-30 -71.19 108.52 4.73 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.794 -0.639 . . . . 74.5 109.722 176.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.63 83.77 1.23 Allowed Glycine 0 N--CA 1.441 -0.971 0 C-N-CA 120.846 -0.693 . . . . 74.23 111.585 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.516 ' CE2' HG23 ' A' ' 67' ' ' VAL . 4.6 m-85 -86.38 131.07 34.29 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.007 0.432 . . . . 73.51 109.842 175.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.537 ' HB3' HD12 ' A' ' 58' ' ' ILE . 11.7 m -153.29 152.4 31.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.181 -0.463 . . . . 64.03 110.233 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.595 ' CG ' HD21 ' A' ' 78' ' ' LEU . 30.7 t80 -107.85 126.9 53.22 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.721 -0.474 . . . . 72.42 109.721 175.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -99.2 135.71 40.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.539 -0.755 . . . . 74.13 111.663 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.499 HH21 ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -140.81 104.52 4.71 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.331 -0.988 . . . . 74.33 108.331 175.78 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.593 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 10.6 m-70 63.79 33.35 12.88 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.156 -0.475 . . . . 73.43 111.689 -173.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.44 -4.96 57.87 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.572 -0.823 . . . . 24.03 112.416 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -88.71 173.38 8.62 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 109.484 -0.561 . . . . 72.23 109.484 176.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.537 HD12 ' HB3' ' A' ' 51' ' ' SER . 23.0 mm -109.99 117.19 54.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-O 121.447 0.641 . . . . 71.01 110.614 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.686 HG11 HD13 ' A' ' 89' ' ' LEU . 72.6 t -96.12 -38.66 8.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.112 -0.949 . . . . 73.05 109.831 176.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -128.34 142.59 51.08 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.709 -0.678 . . . . 63.12 110.452 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -145.29 138.76 26.61 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.676 -0.49 . . . . 61.03 109.676 175.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.69 107.35 0.27 Allowed Glycine 0 N--CA 1.44 -1.08 0 N-CA-C 111.507 -0.637 . . . . 52.25 111.507 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 7.6 ptpp? -101.88 144.29 30.72 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.375 -0.602 . . . . 72.54 109.375 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.3 t -159.91 162.09 34.44 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.846 -0.615 . . . . 74.1 109.767 -178.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -70.47 -20.12 62.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.642 0.258 . . . . 73.1 110.59 -178.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.441 ' HD3' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -118.01 144.91 45.16 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.14 -0.482 . . . . 62.25 110.566 -179.611 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.518 HG22 ' HE2' ' A' ' 71' ' ' LYS . 3.6 p -61.01 -45.11 99.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.618 -0.719 . . . . 71.24 111.731 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.77 97.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.723 0.297 . . . . 72.32 111.427 -177.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -46.73 74.47 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.849 -0.426 . . . . 73.15 109.849 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.37 -49.52 76.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.774 -0.648 . . . . 32.42 111.438 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.518 ' HE2' HG22 ' A' ' 67' ' ' VAL . 56.6 mtmt -56.39 -43.95 79.76 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.082 0.468 . . . . 74.35 110.589 177.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -55.31 -46.4 76.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.386 -0.825 . . . . 73.13 111.148 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.425 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 35.5 mt -60.8 -53.72 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.64 -0.709 . . . . 73.1 111.579 -178.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.467 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.6 ptt? -62.61 -37.66 87.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.542 -0.299 . . . . 73.41 110.738 -177.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.566 ' HA ' HG21 ' A' ' 5' ' ' ILE . 60.9 mttm -57.45 -50.66 72.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.616 -0.265 . . . . 75.22 110.773 178.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -59.57 -24.53 63.81 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.212 -0.449 . . . . 73.31 111.406 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.511 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 14.6 mmt85 -62.23 -66.57 0.52 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.5 -0.318 . . . . 73.25 110.457 178.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.797 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -66.93 -31.96 72.9 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 120.64 -0.424 . . . . 74.1 110.221 -179.394 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -51.75 -45.0 63.52 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.813 -0.631 . . . . 71.31 110.526 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -75.22 -30.71 60.66 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.893 -0.323 . . . . 73.32 111.156 178.242 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 87.0 mt -66.14 -39.48 89.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.638 -0.255 . . . . 74.55 111.072 -177.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 5' ' ' ILE . 1.1 pp -80.82 -22.04 40.34 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.739 0.274 . . . . 70.03 111.739 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -82.13 -37.75 25.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.282 0.563 . . . . 71.51 110.623 176.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -83.83 -19.51 34.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.591 -0.731 . . . . 62.22 110.01 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.458 ' HA ' ' CD1' ' A' ' 90' ' ' LEU . 48.9 mmtm 65.43 46.61 2.5 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.191 -0.913 . . . . 72.4 109.665 -175.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 m -81.07 134.76 35.72 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.664 -1.153 . . . . 74.14 109.809 177.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -64.91 -10.81 31.62 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.234 0.457 . . . . 65.01 112.234 -176.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.481 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -57.13 -39.67 75.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.673 0.273 . . . . 71.53 111.478 -176.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.797 HD22 ' HB3' ' A' ' 78' ' ' LEU . 24.0 tp -107.86 -21.28 12.9 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.424 0.631 . . . . 71.24 110.596 177.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 85' ' ' LYS . 8.0 mt -109.51 24.35 13.19 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.503 -0.771 . . . . 63.24 112.225 -169.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -73.04 158.8 34.71 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.076 0.465 . . . . 75.44 110.943 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.9 m -83.82 140.99 31.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.337 -0.847 . . . . 64.21 110.551 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.6 p -145.3 163.31 34.89 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.622 -0.717 . . . . 62.02 109.427 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -106.74 70.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.507 -0.477 . . . . 74.14 111.376 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.665 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 40.8 m -85.21 -34.4 22.03 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 119.937 -0.705 . . . . 74.11 110.237 170.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.51 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 22.4 ptmt -120.83 -41.14 2.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.139 -0.482 . . . . 73.4 109.824 172.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.51 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 31.8 p90 -168.91 170.78 8.84 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.133 -0.692 . . . . 75.01 109.133 174.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.4 p -179.62 -152.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.708 0.63 . . . . 63.21 109.84 174.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -111.72 155.42 23.5 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 120.859 0.362 . . . . 64.11 110.467 -175.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.744 ' HG3' ' HG2' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -81.47 -73.24 0.39 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.027 -0.533 . . . . 75.33 110.59 -178.42 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.744 ' HG2' ' HG3' ' A' ' 100' ' ' LYS . 34.4 mmtp . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.614 -0.708 . . . . 53.41 110.01 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.96 ' HG3' ' HD3' ' A' ' 2' ' ' LYS . 3.3 tpt . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 109.68 -0.489 . . . . 75.22 109.68 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.96 ' HD3' ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -172.77 139.79 0.92 Allowed 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.33 -0.618 . . . . 74.23 109.33 173.028 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.65 -154.37 29.52 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.6 -0.809 . . . . 64.43 112.572 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.514 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 23.4 t70 -94.63 134.31 37.34 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.31 -0.255 . . . . 64.53 110.31 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.603 HD11 HD21 ' A' ' 82' ' ' LEU . 4.0 tp -72.44 -28.3 28.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.027 0.38 . . . . 71.32 112.027 -171.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.598 ' O ' ' HD1' ' A' ' 10' ' ' TYR . 41.4 mt-10 -65.81 -43.0 89.94 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 109.043 -0.725 . . . . 61.35 109.043 -177.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.441 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 68.5 m80 -57.05 -43.94 82.5 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.561 -0.745 . . . . 72.53 110.201 175.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 66.9 mmtt -62.35 -51.16 68.73 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.172 -0.467 . . . . 60.41 110.218 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.652 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 57.1 t -48.67 -52.69 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 O-C-N 123.891 0.744 . . . . 62.32 111.295 178.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.598 ' HD1' ' O ' ' A' ' 6' ' ' GLU . 27.1 m-85 -64.06 -45.15 90.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.579 -0.282 . . . . 63.14 110.465 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 22.1 mm-40 -50.88 -39.52 54.17 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.836 0.68 . . . . 73.11 112.836 -174.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.58 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -100.63 -48.1 4.63 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.505 -0.478 . . . . 62.51 112.226 -179.124 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.815 HD13 HH11 ' A' ' 54' ' ' ARG . 25.6 mt -59.31 -44.03 92.59 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.256 0.465 . . . . 73.01 112.256 -173.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.647 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 18.9 pttp -65.42 -28.04 68.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.295 0.569 . . . . 65.34 109.942 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.52 -13.27 43.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.462 -0.79 . . . . 75.2 111.074 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 36.0 mt-30 -82.15 -28.55 32.07 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.595 0.712 . . . . 74.14 109.422 173.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.553 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 116.35 29.98 2.18 Favored Glycine 0 N--CA 1.437 -1.257 0 CA-C-N 114.976 -1.011 . . . . 41.31 111.515 -174.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.647 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 4.3 t -121.45 134.24 55.08 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.721 -0.391 . . . . 63.25 110.021 173.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.22 -1.9 9.16 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.556 0.693 . . . . 64.11 109.841 170.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -94.88 84.17 4.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.193 -0.912 . . . . 61.33 110.738 -173.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 6.7 p90 -165.2 161.77 19.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.508 -0.769 . . . . 72.12 111.217 176.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -177.3 -176.96 45.82 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.877 -0.601 . . . . 42.43 111.812 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.2 p -123.5 144.81 49.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.07 0.435 . . . . 74.22 111.035 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -126.21 151.24 47.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 74.32 110.433 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.8 p -129.21 75.21 1.63 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.546 0.689 . . . . 71.32 109.654 174.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -88.95 131.17 36.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.523 -0.762 . . . . 74.44 109.729 -178.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.2 mt -78.85 127.87 38.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.165 0.507 . . . . 62.53 111.102 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -116.3 101.33 8.58 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.69 -0.855 . . . . 70.11 108.69 172.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.609 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -79.94 130.26 35.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.726 -0.67 . . . . 72.33 110.354 -177.778 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.0 t -93.39 99.13 9.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.942 -0.762 . . . . 61.51 108.942 175.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.866 ' HA ' HD22 ' A' ' 44' ' ' LEU . 10.3 pttp -75.66 158.23 32.65 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.95 -0.568 . . . . 74.44 109.516 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.7 t -105.58 -166.65 1.23 Allowed 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.155 0.502 . . . . 71.43 110.208 -175.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.4 t -129.63 23.4 5.44 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.497 -0.927 . . . . 62.23 108.497 176.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -64.62 156.0 31.45 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.171 -0.922 . . . . 63.14 110.98 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HB2' ' HE3' ' A' ' 35' ' ' LYS . 46.3 mtmt -88.48 91.82 8.94 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.589 -0.893 . . . . 72.51 108.589 172.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.45 ' OG1' HD23 ' A' ' 38' ' ' LEU . 13.3 t -76.95 165.74 24.26 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.538 -0.756 . . . . 74.22 110.842 -172.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.3 mt -104.36 4.25 33.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 74.04 110.893 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.45 HD23 ' OG1' ' A' ' 36' ' ' THR . 2.5 pt? -139.7 -163.72 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.325 -0.398 . . . . 54.01 110.352 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -44.42 -66.04 0.44 Allowed 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.845 0.715 . . . . 64.3 112.025 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.9 p -127.49 -171.79 2.51 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.073 -0.714 . . . . 65.44 109.073 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.34 95.97 2.25 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 108.03 -1.1 . . . . 74.31 108.03 167.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.6 tt -32.4 -56.86 0.34 Allowed 'General case' 0 N--CA 1.473 0.682 0 O-C-N 124.284 0.99 . . . . 72.31 111.972 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -125.32 136.46 53.5 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.612 -0.514 . . . . 73.33 109.612 176.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.866 HD22 ' HA ' ' A' ' 31' ' ' LYS . 1.5 pp -136.44 178.08 7.34 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.228 -0.442 . . . . 60.41 110.461 178.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.2 m -83.19 103.72 12.82 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.394 0.616 . . . . 74.13 110.565 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.609 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -106.92 152.05 24.46 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.678 -0.692 . . . . 74.52 109.806 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -124.82 148.08 48.39 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.457 0.646 . . . . 74.31 111.655 -173.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -83.48 108.85 16.89 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.732 -1.122 . . . . 73.11 110.236 176.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.56 72.54 2.72 Favored Glycine 0 N--CA 1.442 -0.945 0 C-N-CA 120.807 -0.711 . . . . 73.32 111.505 176.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.531 ' HE2' HG23 ' A' ' 67' ' ' VAL . 2.1 m-85 -69.25 121.27 16.48 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.496 -0.557 . . . . 74.44 109.496 176.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.697 ' OG ' HD12 ' A' ' 58' ' ' ILE . 7.4 t -142.46 142.8 32.37 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.313 -0.555 . . . . 53.34 110.87 -177.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.652 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 69.0 t80 -95.96 126.71 41.39 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.907 -0.588 . . . . 73.23 110.227 177.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -102.18 137.77 40.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.15 0.906 . . . . 75.02 111.209 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.815 HH11 HD13 ' A' ' 13' ' ' LEU . 13.0 ttt180 -149.57 126.7 11.31 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.335 -0.848 . . . . 73.54 109.359 171.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 53.93 32.53 15.44 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.423 0.527 . . . . 75.34 112.423 -175.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.22 9.75 81.04 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.657 -0.782 . . . . 72.43 112.754 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -111.87 174.24 5.97 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 109.587 -0.523 . . . . 44.24 109.587 176.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.697 HD12 ' OG ' ' A' ' 51' ' ' SER . 29.2 mm -108.53 116.82 52.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.604 -0.725 . . . . 73.1 110.486 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.58 HG11 HD13 ' A' ' 89' ' ' LEU . 60.5 t -93.8 -37.82 8.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.541 -0.754 . . . . 51.03 110.079 176.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -132.43 139.98 48.25 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.123 -0.49 . . . . 32.53 111.109 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.43 ' CE2' ' HB2' ' A' ' 63' ' ' LYS . 54.4 t80 -139.21 135.53 34.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.901 0.381 . . . . 53.2 110.11 172.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -146.57 109.94 0.51 Allowed Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.861 -0.609 . . . . 73.13 111.606 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.43 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 38.7 ttmt -103.56 118.12 35.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.547 0.213 . . . . 50.55 110.487 -177.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.6 t -149.71 168.8 22.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.94 0.4 . . . . 51.32 110.795 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.401 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 8.6 ptp85 -86.13 -9.68 56.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.871 -0.604 . . . . 71.55 110.234 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.603 ' HB2' ' HB3' ' A' ' 69' ' ' ASN . 19.9 mmtm -107.1 129.26 54.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.826 -0.624 . . . . 72.1 109.32 176.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.564 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 7.9 p -54.83 -43.47 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.027 0.441 . . . . 75.34 110.644 176.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.479 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . . . -74.34 -34.42 63.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.943 -0.571 . . . . 53.24 112.162 -178.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.603 ' HB3' ' HB2' ' A' ' 66' ' ' LYS . 3.0 t-20 -73.4 -45.76 52.79 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.771 0.319 . . . . 75.11 110.161 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.44 ' HA ' HD12 ' A' ' 73' ' ' ILE . . . -57.5 -47.12 82.8 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.856 0.836 . . . . 62.3 109.923 175.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.564 ' HB2' ' O ' ' A' ' 67' ' ' VAL . 23.1 ttpt -59.36 -41.39 89.14 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.008 -1.451 . . . . 71.21 110.147 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.443 ' HB3' ' O ' ' A' ' 69' ' ' ASN . 53.4 t80 -59.07 -47.68 84.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.622 -0.717 . . . . 74.2 111.27 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 70' ' ' ALA . 45.6 mt -58.54 -53.14 50.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.948 -0.569 . . . . 72.11 111.16 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.2 ptt? -61.43 -36.89 81.64 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.793 -0.363 . . . . 62.43 110.218 178.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.579 ' HG2' ' CG2' ' A' ' 5' ' ' ILE . 79.2 mttt -55.99 -50.62 70.34 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-O 120.367 0.127 . . . . 72.11 110.813 176.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -57.38 -28.79 63.52 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.162 -0.472 . . . . 71.4 111.665 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.553 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 36.5 mmt180 -60.67 -64.99 0.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.385 -0.37 . . . . 73.3 110.484 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.716 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -67.36 -32.12 72.83 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.663 -0.415 . . . . 63.22 110.67 179.523 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 3.2 tm? -53.48 -51.3 63.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.149 -0.478 . . . . 73.12 109.879 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -65.63 -31.37 72.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.232 -0.44 . . . . 65.24 110.791 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 89.8 mt -68.29 -38.17 81.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.649 -0.25 . . . . 75.35 111.065 -177.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.603 HD21 HD11 ' A' ' 5' ' ' ILE . 1.4 pp -81.06 -35.27 31.98 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.797 -0.361 . . . . 72.13 111.127 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -67.32 -37.09 82.75 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.385 0.612 . . . . 72.32 110.796 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -89.15 -17.23 29.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.466 -0.788 . . . . 70.43 110.166 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 63.39 48.97 3.34 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.209 -0.905 . . . . 64.42 110.511 -177.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.3 m -88.16 144.2 26.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.917 -1.038 . . . . 72.44 110.529 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.585 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 2.9 p-10 -77.87 7.52 5.83 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.459 0.54 . . . . 74.13 112.459 -173.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.71 -37.87 73.59 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 121.054 -0.258 . . . . 74.43 111.252 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.716 HD22 ' HB3' ' A' ' 78' ' ' LEU . 14.0 tp -109.29 -25.79 10.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.398 0.618 . . . . 73.04 110.283 177.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.515 HD11 ' HA ' ' A' ' 82' ' ' LEU . 5.6 mt -105.01 24.78 11.41 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.478 -0.783 . . . . 64.33 112.122 -170.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.585 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 43.2 p90 -73.65 164.48 26.59 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.227 0.537 . . . . 64.41 111.654 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.3 m -85.32 134.06 34.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.531 -0.758 . . . . 63.3 110.069 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.1 p -137.33 179.43 6.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.848 -0.615 . . . . 71.55 110.288 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -113.87 76.61 0.99 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.914 0.387 . . . . 53.04 111.128 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.553 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 65.0 m -98.79 -1.49 40.28 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.287 0.565 . . . . 70.23 109.616 164.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.629 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 19.3 ptmt -163.5 -56.52 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.263 -0.88 . . . . 62.04 110.144 177.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.629 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 34.8 p90 -168.17 164.47 13.35 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 110.087 -0.338 . . . . 73.52 110.087 177.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.3 p 174.38 175.79 0.16 Allowed 'General case' 0 C--O 1.235 0.339 0 O-C-N 123.944 0.777 . . . . 71.01 110.159 174.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 99' ' ' LYS . 19.4 mtmt -97.69 5.24 49.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.617 -0.72 . . . . 71.21 110.955 -175.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.6 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -91.94 125.23 36.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.13 -0.486 . . . . 74.34 110.311 -177.639 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.578 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 2.6 mptp? . . . . . 0 C--O 1.249 1.04 0 N-CA-C 109.545 -0.539 . . . . 74.23 109.545 173.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.7 ttp . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.527 0.203 . . . . 71.45 111.381 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -100.63 137.56 38.87 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.835 0.35 . . . . 71.52 111.342 -175.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.22 177.98 16.12 Favored Glycine 0 N--CA 1.453 -0.221 0 CA-C-N 115.947 -0.57 . . . . 64.34 113.043 174.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.514 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 8.2 t70 -78.03 130.99 37.14 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.99 -0.374 . . . . 63.44 109.99 177.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.611 ' O ' HG23 ' A' ' 9' ' ' VAL . 6.1 tp -68.1 -31.6 52.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.105 -0.498 . . . . 65.45 111.691 -172.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.64 -45.84 88.4 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.502 -0.555 . . . . 64.52 109.502 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.673 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 56.4 m80 -54.3 -45.99 72.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.892 -0.594 . . . . 74.35 110.341 174.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 65.0 mmtt -61.0 -52.64 64.16 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.225 0.328 . . . . 75.42 110.484 -178.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.675 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 59.9 t -53.12 -44.73 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 115.724 -0.671 . . . . 72.14 110.836 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.595 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 11.8 m-30 -65.33 -46.95 78.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.679 -0.489 . . . . 75.53 109.679 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.673 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 22.2 mm-40 -48.79 -53.8 17.69 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.759 0.662 . . . . 64.41 112.637 -173.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.539 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -85.02 -40.77 16.47 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.009 -0.541 . . . . 71.44 111.832 -174.68 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.522 ' H ' HD12 ' A' ' 12' ' ' LEU . 21.9 mt -63.86 -47.08 82.12 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.194 0.442 . . . . 70.2 112.194 -177.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 20.4 pttp -68.54 -17.29 64.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.171 0.51 . . . . 71.23 109.86 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 12' ' ' LEU . 17.5 t70 -77.52 -46.81 21.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.484 -0.78 . . . . 71.42 110.713 175.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.539 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 13.8 mt-30 -62.37 -31.15 71.76 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.711 -0.677 . . . . 72.44 110.224 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.621 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 119.29 36.18 0.88 Allowed Glycine 0 N--CA 1.437 -1.256 0 CA-C-N 114.999 -1.001 . . . . 10.43 111.622 -177.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 6.7 t -119.82 127.44 52.78 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.672 -0.411 . . . . 64.43 110.834 175.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -137.08 69.61 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.691 0.757 . . . . 61.13 109.494 166.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -153.01 80.83 1.2 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.608 -1.178 . . . . 62.2 108.13 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.443 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 3.8 p90 -165.54 161.54 18.6 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.942 -1.027 . . . . 63.55 110.328 -177.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.66 -172.23 45.19 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.381 -0.687 . . . . 55.2 111.381 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.4 p -125.38 144.01 50.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.974 0.387 . . . . 74.23 111.286 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.33 123.89 32.92 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.392 0.615 . . . . 65.11 110.245 171.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.6 p -97.21 82.51 3.18 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.571 -0.74 . . . . 73.14 109.784 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -85.23 162.51 2.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.052 -0.721 . . . . 44.21 109.052 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.2 mt -111.19 130.51 64.54 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-O 121.038 0.446 . . . . 73.33 110.665 176.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -121.01 103.88 9.37 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.39 -0.823 . . . . 74.42 109.115 174.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.679 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -79.09 135.03 36.73 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.862 -0.608 . . . . 74.12 110.605 -176.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.8 t -82.96 93.32 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-O 121.662 0.744 . . . . 71.33 109.491 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.5 mttp -57.62 113.79 1.97 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.447 -1.252 . . . . 64.54 110.373 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.3 m -86.36 -172.22 3.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.916 -0.584 . . . . 73.12 110.491 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.8 p -58.92 -62.55 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.25 -0.432 . . . . 74.25 110.308 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -73.2 120.06 18.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.761 -0.654 . . . . 75.1 109.633 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -120.14 137.63 54.05 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.393 -0.367 . . . . 65.1 110.835 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -163.15 132.82 4.24 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.536 -0.542 . . . . 72.2 109.536 176.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.478 ' O ' HD12 ' A' ' 37' ' ' LEU . 3.7 pp -103.55 130.81 51.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.481 -0.327 . . . . 72.54 110.481 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -169.18 -171.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.147 -0.478 . . . . 74.54 110.133 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -36.79 -54.17 0.92 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 124.584 1.178 . . . . 74.15 113.188 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.1 p -105.98 -7.89 17.87 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.225 -0.443 . . . . 74.11 112.113 -176.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 61.32 25.09 15.11 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.438 -0.578 . . . . 71.33 109.438 -172.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.6 tp 65.12 21.34 12.17 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 114.796 -1.093 . . . . 54.11 110.405 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 58.13 74.16 0.44 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.56 -0.746 . . . . 72.25 109.852 -173.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.0 tp -85.88 134.62 33.89 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.145 -0.934 . . . . 73.11 109.327 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.4 m -58.48 102.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.494 0.664 . . . . 72.15 109.953 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.679 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -112.51 156.66 22.24 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.279 -0.873 . . . . 75.15 110.003 -176.09 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.498 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 19.7 m-85 -124.78 138.17 54.29 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.146 -0.479 . . . . 74.24 110.617 -179.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.496 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 5.0 m-30 -74.72 109.06 7.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.573 -0.74 . . . . 74.21 110.042 176.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.59 71.46 2.99 Favored Glycine 0 N--CA 1.441 -1.022 0 N-CA-C 111.12 -0.792 . . . . 61.34 111.12 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.554 ' HE2' HG23 ' A' ' 67' ' ' VAL . 1.8 m-85 -65.76 135.91 55.53 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.902 -0.407 . . . . 71.44 109.902 177.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.508 ' HB2' HD12 ' A' ' 58' ' ' ILE . 6.9 p -157.31 149.27 22.5 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.067 0.46 . . . . 60.44 111.463 -178.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.675 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 38.8 t80 -106.64 121.28 44.02 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.539 -0.755 . . . . 71.44 109.736 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -91.04 143.72 26.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.464 -0.789 . . . . 64.14 111.258 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.526 ' HB3' HG23 ' A' ' 59' ' ' VAL . 14.0 tpt180 -148.01 104.46 3.56 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.085 -0.961 . . . . 72.52 110.018 -178.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 59.96 28.38 17.89 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.238 0.336 . . . . 63.33 111.483 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.88 -3.21 84.73 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.922 -0.656 . . . . 74.13 112.395 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -101.62 175.88 5.41 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.798 -0.445 . . . . 62.01 109.798 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.508 HD12 ' HB2' ' A' ' 51' ' ' SER . 22.3 mm -113.61 118.82 59.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.765 -0.652 . . . . 74.53 110.789 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.58 HG11 HD13 ' A' ' 89' ' ' LEU . 79.7 t -95.01 -38.93 9.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.717 -0.674 . . . . 62.41 109.798 176.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.42 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -128.96 140.68 51.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.966 -0.561 . . . . 40.34 110.748 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.487 ' CD2' ' HB3' ' A' ' 51' ' ' SER . 42.9 t80 -147.74 136.03 21.48 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.746 -0.464 . . . . 74.12 109.746 173.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.406 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -151.37 96.86 0.17 Allowed Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 111.571 -0.612 . . . . 55.53 111.571 177.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.498 ' HG3' ' HB3' ' A' ' 47' ' ' TYR . 29.5 ttpt -86.59 115.47 24.08 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 120.777 0.322 . . . . 72.52 110.952 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.49 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 37.5 t -147.69 152.84 38.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.16 -0.473 . . . . 65.1 110.738 -177.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -70.35 -28.74 65.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.382 0.61 . . . . 62.01 110.168 -179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.577 ' HE3' ' HB3' ' A' ' 68' ' ' ALA . 44.3 tttp -93.11 122.27 35.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.334 -0.848 . . . . 73.53 109.451 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.554 HG23 ' HE2' ' A' ' 50' ' ' PHE . 15.0 p -55.2 -39.48 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.785 0.326 . . . . 75.23 110.596 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.577 ' HB3' ' HE3' ' A' ' 66' ' ' LYS . . . -69.52 -35.49 75.55 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.315 -0.402 . . . . 53.31 111.859 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.441 ' HB2' ' HD3' ' A' ' 66' ' ' LYS . 12.3 t30 -77.32 -40.72 43.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.77 0.319 . . . . 71.15 110.14 -177.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 64' ' ' SER . . . -58.67 -46.18 87.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.926 -0.579 . . . . 74.4 110.525 174.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.569 ' CE ' ' HA ' ' A' ' 68' ' ' ALA . 50.1 mtmt -56.11 -47.73 77.53 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.769 -0.65 . . . . 74.41 110.168 173.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -54.77 -47.35 74.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.167 -0.924 . . . . 74.44 111.528 -175.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.457 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 37.1 mt -59.7 -55.48 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.769 -0.65 . . . . 74.03 111.407 -179.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.487 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.4 ptt? -62.27 -39.01 91.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.541 -0.3 . . . . 74.2 110.666 -178.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.546 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 54.6 mttm -55.62 -50.92 68.88 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 120.629 0.252 . . . . 44.35 110.36 178.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -63.35 -20.29 65.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.909 -0.587 . . . . 71.33 111.65 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 14.0 mmt85 -66.98 -65.87 0.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.515 -0.311 . . . . 72.31 110.659 178.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.622 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -65.92 -30.18 70.72 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.282 -0.567 . . . . 62.02 110.68 179.059 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.466 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 3.0 tm? -54.77 -49.7 70.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 73.14 109.951 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -64.84 -30.13 71.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.48 -0.327 . . . . 55.21 111.112 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.576 HD23 ' HB2' ' A' ' 89' ' ' LEU . 5.6 mp -69.22 -35.83 76.59 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.462 -0.335 . . . . 72.13 111.401 -179.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.554 HD21 HD11 ' A' ' 5' ' ' ILE . 1.5 pp -86.13 -22.48 27.04 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.83 -0.348 . . . . 73.23 111.373 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 79' ' ' LEU . 7.8 mm-40 -78.31 -40.37 36.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.269 0.557 . . . . 54.41 110.357 176.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -91.99 -16.29 26.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.657 -0.701 . . . . 75.1 110.49 -177.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 64.88 44.86 3.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.254 -0.885 . . . . 74.05 110.935 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.8 m -80.0 134.86 36.27 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.084 -0.962 . . . . 71.41 109.943 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -67.0 -3.35 6.93 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.78 0.659 . . . . 72.34 112.78 -173.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.413 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -63.38 -40.57 97.59 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 121.056 -0.257 . . . . 62.3 111.193 -176.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.622 HD22 ' HB3' ' A' ' 78' ' ' LEU . 12.2 tp -102.55 -13.59 17.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.511 0.672 . . . . 63.32 110.688 175.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.0 mt -113.67 21.1 15.35 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 112.881 0.696 . . . . 75.44 112.881 -170.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -70.1 160.81 31.34 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.069 0.461 . . . . 50.13 111.628 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.2 m -84.78 147.18 26.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.654 -0.703 . . . . 74.44 110.32 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.4 p -148.7 -178.85 6.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.284 -0.416 . . . . 43.4 110.586 -175.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -108.96 77.42 1.07 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.299 -0.409 . . . . 64.4 110.839 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.621 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 25.6 m -102.07 -25.16 13.83 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.268 -0.573 . . . . 71.32 110.978 166.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.465 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 21.4 ptmt -127.45 -42.71 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 71.41 110.579 178.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.465 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 21.4 p90 -160.88 -179.05 7.24 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.863 -0.792 . . . . 74.15 108.863 176.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.0 p -173.39 170.2 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.221 0.534 . . . . 62.14 111.253 173.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' ' 99' ' ' LYS . 16.7 mtmt -103.28 165.79 10.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.918 -1.037 . . . . 62.33 109.82 -176.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.558 ' HD3' ' HB2' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -79.69 -18.4 51.41 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.668 -0.493 . . . . 72.23 109.668 178.166 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.558 ' HB2' ' HD3' ' A' ' 100' ' ' LYS . 1.6 tptm . . . . . 0 C--O 1.247 0.957 0 CA-C-N 115.294 -0.866 . . . . 72.12 109.386 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 112.055 0.391 . . . . 54.43 112.055 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -108.47 88.75 2.8 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.009 -0.367 . . . . 62.23 110.009 175.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.15 -160.03 53.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.651 -0.785 . . . . 65.25 111.229 -175.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.405 ' HB2' ' ND1' ' A' ' 7' ' ' HIS . 57.1 m-20 -94.51 115.87 28.11 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.242 0.544 . . . . 72.52 110.646 -179.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -66.52 -29.0 45.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.466 -0.788 . . . . 64.31 110.4 -177.229 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -62.89 -36.0 81.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.607 -0.724 . . . . 72.4 110.001 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.53 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 39.0 m170 -68.03 -40.21 82.95 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.357 -0.383 . . . . 73.25 110.192 177.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -62.47 -48.33 80.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 72.14 110.698 -178.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.4 HG22 HD12 ' A' ' 13' ' ' LEU . 13.0 p -63.98 -35.86 74.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 65.01 111.084 -177.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -65.96 -40.27 91.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.64 -0.504 . . . . 75.32 109.64 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 11.5 mm100 -56.48 -50.6 71.29 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.676 -0.693 . . . . 63.5 112.566 -170.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.424 ' H ' ' HG ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -87.28 -36.94 17.62 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.298 -0.41 . . . . 61.42 111.724 -174.551 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.4 HD12 HG22 ' A' ' 9' ' ' VAL . 23.5 mt -64.58 -44.49 90.49 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 111.9 0.333 . . . . 54.32 111.9 -178.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -21.64 63.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.069 0.461 . . . . 73.13 110.215 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -72.46 -45.61 58.75 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.797 -0.638 . . . . 74.25 110.28 175.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -66.82 -22.04 66.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.472 -0.785 . . . . 55.35 109.917 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.583 ' HA3' ' HD3' ' A' ' 96' ' ' LYS . . . 105.36 37.11 2.71 Favored Glycine 0 N--CA 1.438 -1.169 0 CA-C-N 115.395 -0.82 . . . . 54.44 112.339 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.6 t -109.95 138.64 46.04 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.427 -0.509 . . . . 73.44 110.07 173.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.423 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.1 OUTLIER -122.49 -0.18 9.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.062 0.458 . . . . 73.33 110.338 172.47 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.572 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 24.3 t70 -105.69 84.13 2.03 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.861 -0.608 . . . . 62.12 111.4 -171.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -166.4 150.55 7.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.279 -0.873 . . . . 73.23 110.644 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.56 177.84 43.5 Favored Glycine 0 C--O 1.228 -0.24 0 C-N-CA 121.202 -0.523 . . . . 54.02 112.145 -179.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.8 p -105.79 152.68 22.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.88 0.34 . . . . 65.35 111.344 -178.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.72 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 20.5 ptmt -134.92 154.76 51.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.859 0.361 . . . . 70.43 110.466 175.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.5 p -139.6 88.94 2.29 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.283 0.563 . . . . 74.44 109.985 173.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.5 p -96.18 135.89 28.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.86 -0.609 . . . . 75.22 109.915 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.3 mt -87.44 130.5 37.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.195 0.521 . . . . 75.3 110.889 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -111.25 100.53 9.15 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.348 -0.842 . . . . 53.42 109.413 175.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.695 ' HG3' HG21 ' A' ' 40' ' ' THR . 0.3 OUTLIER -83.26 121.03 26.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.686 -0.688 . . . . 71.22 110.672 -176.82 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.4 t -95.48 152.98 3.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.74 -0.664 . . . . 64.12 110.052 -175.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 31' ' ' LYS . 3.4 tppp? 70.82 21.22 5.23 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.723 0.773 . . . . 54.42 109.78 -177.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.8 t -87.05 99.65 12.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.753 -0.658 . . . . 42.34 110.109 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.4 m -122.94 -17.27 6.81 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.065 -0.516 . . . . 73.21 110.775 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -118.48 166.27 12.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.356 -0.384 . . . . 72.23 110.259 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -130.36 126.29 36.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.697 0.284 . . . . 75.41 110.53 178.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.54 HG23 ' CD2' ' A' ' 38' ' ' LEU . 9.9 t -120.42 -170.42 1.98 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.526 -0.546 . . . . 74.12 109.526 177.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -80.46 72.61 7.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.768 0.655 . . . . 72.12 112.768 -168.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.54 ' CD2' HG23 ' A' ' 36' ' ' THR . 2.6 pt? 179.43 -159.39 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 123.181 0.592 . . . . 73.42 109.539 170.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -46.67 -56.07 6.72 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.593 0.558 . . . . 63.1 110.919 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.695 HG21 ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -145.3 -81.65 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.211 0.529 . . . . 74.42 110.649 -179.282 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' H ' ' HB ' ' A' ' 40' ' ' THR . 29.7 tt0 -155.4 96.99 1.85 Allowed 'General case' 0 N--CA 1.421 -1.921 0 N-CA-C 107.753 -1.202 . . . . 73.03 107.753 -177.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.461 ' H ' HD21 ' A' ' 38' ' ' LEU . 52.3 tp -38.35 127.03 1.4 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.735 -1.121 . . . . 62.24 112.729 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.1 m170 69.17 26.32 5.52 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.153 -0.931 . . . . 72.11 112.376 174.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.454 HD23 ' HB2' ' A' ' 29' ' ' GLU . 48.4 tp -77.66 158.73 29.59 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.493 -0.558 . . . . 73.12 109.493 175.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.0 m -72.08 101.63 2.8 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.252 0.548 . . . . 51.23 109.983 177.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.544 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -118.18 156.14 29.26 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.794 -0.639 . . . . 73.41 110.301 -175.705 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -122.47 142.42 50.59 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.735 -0.666 . . . . 63.33 110.324 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -83.12 103.55 12.63 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.803 -0.635 . . . . 75.42 110.019 175.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.77 78.31 1.92 Allowed Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.821 -0.627 . . . . 73.15 111.876 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.563 ' CE2' HG23 ' A' ' 67' ' ' VAL . 7.0 m-85 -69.5 140.89 54.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.581 0.229 . . . . 63.54 110.403 178.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.574 ' HB3' HD12 ' A' ' 58' ' ' ILE . 5.0 m -155.28 158.73 39.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.845 0.355 . . . . 62.54 110.81 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.597 ' CG ' HD21 ' A' ' 78' ' ' LEU . 42.8 t80 -116.53 126.61 53.58 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.721 -0.474 . . . . 71.52 109.721 174.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.72 ' CE2' ' HD2' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -92.37 142.82 27.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.168 -0.924 . . . . 74.13 111.957 -176.35 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.524 ' HB3' HG23 ' A' ' 59' ' ' VAL . 12.4 tpt180 -147.87 107.18 3.9 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.949 -1.023 . . . . 74.34 109.553 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.572 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 5.0 m-70 59.32 27.03 16.0 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 111.905 0.335 . . . . 73.15 111.905 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.8 -1.6 85.38 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.228 -0.987 . . . . 73.53 112.418 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -105.23 174.0 6.06 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.353 -0.61 . . . . 74.44 109.353 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.574 HD12 ' HB3' ' A' ' 51' ' ' SER . 14.2 mm -109.11 125.63 66.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 116.071 -0.513 . . . . 63.04 110.393 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.632 HG11 HD13 ' A' ' 89' ' ' LEU . 75.2 t -101.38 -45.06 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.957 -0.565 . . . . 74.1 110.009 175.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.67 140.74 48.91 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.098 -0.501 . . . . 74.34 110.478 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.488 ' HD1' ' HG ' ' A' ' 51' ' ' SER . 72.9 t80 -144.68 135.5 24.81 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.596 -0.52 . . . . 73.22 109.596 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.419 ' O ' ' HB1' ' A' ' 70' ' ' ALA . . . -156.6 97.33 0.16 Allowed Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 111.497 -0.641 . . . . 62.43 111.497 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -97.65 124.7 42.04 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.565 0.221 . . . . 62.32 110.695 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.0 t -148.73 162.72 39.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.25 -0.432 . . . . 60.41 110.077 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -73.33 -14.95 61.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.011 0.434 . . . . 43.13 110.212 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' A' ' 66' ' ' LYS . 22.9 ttmm -114.37 129.61 56.65 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.044 -0.525 . . . . 63.44 110.481 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.563 HG23 ' CE2' ' A' ' 50' ' ' PHE . 4.2 p -55.41 -46.99 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 115.882 -0.599 . . . . 72.35 111.233 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.73 97.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 75.01 111.868 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 72' ' ' TYR . 65.9 t30 -70.51 -48.91 53.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.959 0.409 . . . . 62.5 110.281 -178.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.548 ' HA ' HD12 ' A' ' 73' ' ' ILE . . . -54.28 -46.76 72.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.438 -0.801 . . . . 73.15 110.81 177.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.55 ' HG2' ' HE2' ' A' ' 75' ' ' LYS . 15.2 ttpt -63.64 -40.65 97.41 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.475 -1.238 . . . . 72.04 110.292 -179.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.474 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 34.8 t80 -55.6 -48.81 74.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.712 -0.676 . . . . 72.13 110.393 175.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.563 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 54.0 mt -56.38 -56.08 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.383 -0.826 . . . . 71.41 111.567 -177.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.9 ptt? -60.96 -39.96 91.51 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.624 -0.262 . . . . 65.3 110.936 -178.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.566 ' O ' HG13 ' A' ' 5' ' ' ILE . 49.6 mttm -60.56 -45.9 92.22 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.865 0.364 . . . . 73.22 110.705 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 15.4 mm100 -60.99 -24.18 65.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.061 -0.518 . . . . 74.13 111.006 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 10.1 mmt180 -66.46 -64.66 0.81 Allowed 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.279 -0.419 . . . . 70.43 111.037 -178.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.655 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -62.12 -34.09 75.69 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 119.891 -0.724 . . . . 55.22 110.084 179.209 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.594 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 10.2 tp -52.74 -58.89 5.38 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.156 0.503 . . . . 73.41 110.677 177.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -58.98 -28.98 66.85 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.636 -0.711 . . . . 74.32 110.336 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 91.8 mt -70.94 -39.74 72.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.479 -0.328 . . . . 74.25 110.938 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 79' ' ' LEU . 1.3 pp -81.13 -21.98 39.41 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.698 0.285 . . . . 75.44 111.142 178.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -79.55 -38.02 35.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.152 0.501 . . . . 51.34 110.739 173.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -88.32 -18.64 28.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.851 -0.613 . . . . 72.41 110.197 -176.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.407 ' HA ' ' CD1' ' A' ' 90' ' ' LEU . 3.1 mmmp? 65.03 37.53 6.73 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.359 -0.837 . . . . 75.12 110.276 -177.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.8 m -76.45 146.19 38.75 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.242 -0.89 . . . . 64.12 110.131 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.454 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 3.3 p-10 -75.62 -1.56 25.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.007 0.373 . . . . 54.43 112.007 -173.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -65.62 -38.86 90.61 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.706 0.262 . . . . 60.31 111.706 -175.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.655 HD22 ' HB3' ' A' ' 78' ' ' LEU . 9.7 tp -110.13 -17.62 13.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.47 0.652 . . . . 60.32 110.678 178.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.409 HD11 ' HA ' ' A' ' 82' ' ' LEU . 13.9 mt -108.92 15.52 23.38 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 112.711 0.634 . . . . 72.22 112.711 -170.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.454 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 31.9 p90 -67.54 156.83 35.77 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.937 0.398 . . . . 73.11 110.618 178.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.6 m -83.92 139.05 32.85 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.019 -0.537 . . . . 71.25 110.101 177.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.9 p -132.84 177.23 7.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.036 -0.529 . . . . 64.23 109.771 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 97' ' ' PHE . 3.8 t-20 -109.83 68.95 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.927 0.343 . . . . 71.22 111.927 -178.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 68.3 m -98.15 -2.55 39.66 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 119.904 -0.719 . . . . 75.31 111.095 167.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.583 ' HD3' ' HA3' ' A' ' 17' ' ' GLY . 21.8 ptmt -153.53 -46.09 0.09 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.285 0.564 . . . . 62.12 110.149 177.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.429 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 30.2 p90 -152.0 -176.67 5.75 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.163 -1.421 . . . . 75.52 107.163 173.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.8 p -179.62 169.76 1.33 Allowed 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 121.181 0.515 . . . . 53.11 111.049 172.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.446 ' HE3' ' HB2' ' A' ' 99' ' ' LYS . 20.9 mtmt -98.45 81.64 2.76 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.948 -1.024 . . . . 63.35 109.53 -178.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -90.66 -45.34 8.94 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.066 -0.97 . . . . 64.51 110.109 -175.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.507 ' HD2' ' HA ' ' A' ' 101' ' ' LYS . 35.4 tptt . . . . . 0 N--CA 1.439 -1.003 0 CA-C-O 118.426 -0.797 . . . . 62.34 110.139 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ttt . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.779 0.323 . . . . 72.23 110.84 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.648 ' HE3' HD11 ' A' ' 79' ' ' LEU . 16.4 tppt? -83.33 -41.13 18.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 74.15 110.308 -177.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 127.64 -153.76 19.38 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.595 -0.812 . . . . 70.13 112.095 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -87.99 113.39 23.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.903 0.383 . . . . 73.32 110.726 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.713 HD11 HD21 ' A' ' 82' ' ' LEU . 6.7 tp -67.52 -26.18 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.946 -0.57 . . . . 71.43 109.685 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.63 -40.55 95.25 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.277 -0.874 . . . . 75.41 109.525 -178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.68 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 28.1 m80 -60.86 -49.9 75.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.944 -0.571 . . . . 73.11 110.185 174.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -58.57 -50.6 73.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 53.31 111.233 -175.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.587 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 7.2 p -63.1 -39.48 85.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.131 -0.486 . . . . 72.52 111.575 -176.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.412 ' CD1' HG13 ' A' ' 9' ' ' VAL . 12.5 m-30 -69.33 -32.76 72.07 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.408 -0.517 . . . . 71.5 109.756 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.68 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 26.6 mm-40 -57.75 -49.34 76.89 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.957 -0.565 . . . . 52.23 111.942 -175.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -89.22 -43.18 11.18 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.267 -0.424 . . . . 71.34 111.8 -175.808 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.497 ' H ' HD12 ' A' ' 12' ' ' LEU . 17.4 mt -60.27 -45.4 93.43 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.604 0.594 . . . . 75.53 112.604 -176.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.581 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 17.3 pttp -69.33 -24.47 63.92 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.663 -0.415 . . . . 73.53 110.19 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -75.47 -34.4 60.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.749 -0.66 . . . . 60.23 110.139 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 12.1 mt-30 -72.38 -9.73 58.89 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.481 -0.781 . . . . 74.32 110.511 177.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.504 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 95.95 27.7 10.04 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.658 -0.782 . . . . 72.24 111.951 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.581 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 5.8 t -107.88 140.33 41.16 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.573 -0.451 . . . . 75.41 110.127 174.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -126.47 -4.7 6.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.889 0.376 . . . . 70.32 111.118 173.462 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.425 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 18.8 t70 -97.79 85.85 3.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.131 0.491 . . . . 54.14 111.014 -174.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -169.22 172.98 6.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.352 -0.84 . . . . 71.54 110.344 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.31 164.4 14.58 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.026 -0.607 . . . . 73.51 112.004 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.6 p -94.89 136.82 34.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.888 0.344 . . . . 75.33 111.215 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.522 ' HE2' ' HB3' ' A' ' 51' ' ' SER . 0.0 OUTLIER -112.03 145.94 38.8 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 109.081 -0.711 . . . . 72.35 109.081 175.325 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.9 p -141.82 69.21 1.32 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.496 0.665 . . . . 73.21 109.965 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -89.44 125.53 42.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.476 -0.784 . . . . 72.35 109.974 -178.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.4 mt -68.64 125.34 26.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.277 0.561 . . . . 72.0 110.345 176.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -114.1 104.37 12.06 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.409 -0.814 . . . . 75.04 109.146 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -82.8 115.96 21.93 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.211 -0.904 . . . . 72.43 110.533 -176.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.2 t -82.84 125.88 40.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 N-CA-C 108.911 -0.774 . . . . 71.25 108.911 177.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -61.32 104.91 0.44 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.146 0.498 . . . . 64.21 109.998 -174.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.7 t -80.94 141.7 34.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.336 -0.847 . . . . 71.21 110.683 -174.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.3 t -63.5 -31.76 73.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.785 -0.643 . . . . 65.43 109.959 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -85.96 106.75 17.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.692 -0.685 . . . . 74.24 109.561 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.712 ' HE3' ' HG3' ' A' ' 41' ' ' GLU . 21.6 ptmt -146.8 155.61 42.49 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.896 0.379 . . . . 72.1 111.039 -177.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.557 HG23 HD22 ' A' ' 38' ' ' LEU . 6.5 t -102.02 175.2 5.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.983 -0.553 . . . . 72.0 109.536 175.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.782 ' H ' HD23 ' A' ' 37' ' ' LEU . 1.5 pt? -95.51 107.92 20.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.387 0.613 . . . . 74.11 111.902 -173.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.783 HD11 ' HB2' ' A' ' 42' ' ' LEU . 1.8 pt? -168.16 -166.47 0.71 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.257 -0.883 . . . . 63.25 108.78 172.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -50.42 -71.11 0.07 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.402 0.62 . . . . 73.23 111.281 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.9 p -104.3 -160.11 0.75 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.531 -0.759 . . . . 75.54 109.637 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.712 ' HG3' ' HE3' ' A' ' 35' ' ' LYS . 4.8 mp0 -97.11 94.75 7.32 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 108.314 -0.995 . . . . 75.23 108.314 170.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.783 ' HB2' HD11 ' A' ' 38' ' ' LEU . 2.1 tm? -45.97 -49.65 15.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.366 -0.834 . . . . 74.33 110.67 -177.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -128.02 120.88 28.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.775 -0.648 . . . . 44.52 109.961 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.502 HD13 ' HB2' ' A' ' 41' ' ' GLU . 2.4 pt? -153.03 -176.96 6.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.001 0.429 . . . . 70.23 110.768 -178.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.3 m -79.39 108.57 13.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.646 -0.706 . . . . 72.13 110.294 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -116.9 153.97 31.62 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.246 -0.434 . . . . 52.35 110.374 -177.594 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -126.9 142.78 51.46 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.949 -0.569 . . . . 70.13 110.627 -178.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.431 ' CE2' ' HB ' ' A' ' 67' ' ' VAL . 4.1 m-30 -83.56 104.17 13.47 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.967 -0.753 . . . . 73.32 108.967 173.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.35 76.81 1.78 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.743 -0.741 . . . . 63.21 111.876 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.604 ' CE2' HG23 ' A' ' 67' ' ' VAL . 4.4 m-85 -78.43 136.57 37.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.878 0.37 . . . . 65.31 110.337 177.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.586 ' OG ' HD12 ' A' ' 58' ' ' ILE . 31.8 t -164.02 153.87 14.6 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.141 -0.481 . . . . 63.3 110.111 -178.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.635 ' CG ' HD21 ' A' ' 78' ' ' LEU . 49.4 t80 -111.12 125.83 54.2 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.587 -0.278 . . . . 62.45 110.425 176.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.426 ' CZ ' HD11 ' A' ' 58' ' ' ILE . 9.2 m-85 -103.54 136.19 43.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.175 -0.921 . . . . 72.4 111.288 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -139.53 116.46 10.96 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.707 -0.849 . . . . 75.0 108.707 167.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.425 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 14.0 m-70 60.82 26.96 16.78 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.864 0.364 . . . . 50.02 111.498 -178.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.97 2.66 90.62 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.506 -0.855 . . . . 73.35 112.566 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -93.88 166.03 12.38 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 109.667 -0.494 . . . . 71.43 109.667 176.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.586 HD12 ' OG ' ' A' ' 51' ' ' SER . 32.2 mm -109.46 108.53 25.58 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-N 115.467 -0.788 . . . . 71.22 110.263 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.721 HG11 HD13 ' A' ' 89' ' ' LEU . 88.5 t -88.92 -35.1 7.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 CA-C-N 114.919 -1.037 . . . . 74.44 109.704 178.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -138.01 145.2 41.57 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.892 -0.595 . . . . 62.33 110.745 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -149.16 128.09 12.64 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.9 -0.407 . . . . 74.41 109.9 175.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.481 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -148.56 105.99 0.32 Allowed Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.79 -0.641 . . . . 70.55 111.601 179.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -106.56 123.91 48.81 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.171 0.51 . . . . 63.11 110.955 -177.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.3 m -151.32 166.21 31.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.056 -0.52 . . . . 71.25 110.296 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -35.62 73.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.454 0.645 . . . . 73.44 109.571 178.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -100.34 131.1 46.46 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.931 -1.032 . . . . 74.21 110.055 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.604 HG23 ' CE2' ' A' ' 50' ' ' PHE . 2.5 p -56.1 -41.8 70.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.821 -0.627 . . . . 74.04 111.478 -178.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.02 86.1 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.063 0.394 . . . . 64.12 112.063 -178.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.33 -46.11 35.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.968 0.413 . . . . 73.43 110.035 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.39 -47.56 78.69 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.486 -0.779 . . . . 64.11 111.037 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.522 ' HE2' HG22 ' A' ' 67' ' ' VAL . 48.4 mtmt -58.45 -46.32 86.8 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 116.082 -0.508 . . . . 75.13 110.601 176.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.417 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 27.5 t80 -52.12 -48.17 64.96 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.372 -0.831 . . . . 74.02 111.441 -175.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.481 ' HB ' ' HA3' ' A' ' 62' ' ' GLY . 33.3 mt -59.06 -52.68 57.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.613 -0.721 . . . . 71.51 111.257 -177.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.469 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 2.7 ptt? -66.37 -39.64 89.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 72.54 110.967 -177.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.53 ' HA ' HG21 ' A' ' 5' ' ' ILE . 54.7 mttm -57.4 -45.07 84.92 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 120.556 0.217 . . . . 74.11 110.983 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 72' ' ' TYR . 86.7 mm-40 -59.54 -32.16 70.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 71.51 111.314 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 77' ' ' ARG . 18.6 mmm-85 -60.63 -67.26 0.41 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.974 -0.557 . . . . 74.54 111.552 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.818 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -62.81 -35.1 78.79 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.328 -0.549 . . . . 64.01 110.452 -178.802 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.648 HD11 ' HE3' ' A' ' 2' ' ' LYS . 13.2 tp -49.8 -60.01 3.3 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.14 0.495 . . . . 72.41 110.94 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -60.29 -26.53 66.58 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.49 -0.777 . . . . 72.1 111.02 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 96.2 mt -72.39 -38.22 68.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.292 -0.413 . . . . 70.13 110.786 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.713 HD21 HD11 ' A' ' 5' ' ' ILE . 2.5 pp -85.36 -25.73 26.91 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 121.079 -0.248 . . . . 74.34 111.078 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 79' ' ' LEU . 25.3 mm-40 -67.84 -49.21 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.188 0.518 . . . . 75.53 110.219 173.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -86.75 -13.81 44.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.585 -0.734 . . . . 63.14 110.594 -176.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 85' ' ' LYS . 13.6 mmmm 64.82 48.13 2.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.417 -0.81 . . . . 74.32 110.344 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.7 m -87.43 134.43 33.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.995 -1.002 . . . . 74.01 110.142 175.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 8.9 p30 -70.28 0.71 5.9 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.853 0.686 . . . . 51.52 112.853 -171.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.486 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.4 mm? -62.47 -35.66 80.02 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.886 -0.325 . . . . 44.43 111.215 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.818 HD22 ' HB3' ' A' ' 78' ' ' LEU . 17.5 tp -107.14 -16.06 14.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.262 0.554 . . . . 71.45 110.387 175.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.42 HD11 ' HA ' ' A' ' 82' ' ' LEU . 13.8 mt -114.64 18.05 16.88 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.558 -0.747 . . . . 74.33 112.666 -168.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.431 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 41.0 p90 -68.55 167.14 15.57 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.308 0.575 . . . . 64.25 111.772 -176.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.4 m -91.21 132.5 36.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.54 -0.754 . . . . 64.21 110.866 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.7 p -133.66 174.74 10.11 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.545 -0.752 . . . . 61.31 109.758 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.547 ' HA ' ' O ' ' A' ' 97' ' ' PHE . 51.0 t-20 -111.61 73.01 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.071 0.232 . . . . 72.42 111.371 178.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 58.9 m -92.65 -1.19 57.07 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 119.998 -0.681 . . . . 55.12 110.572 167.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.44 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 21.2 ptmt -156.25 -34.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.75 -0.659 . . . . 73.14 110.114 178.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.547 ' O ' ' HA ' ' A' ' 94' ' ' ASN . 21.5 p90 -167.59 176.22 6.6 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.243 -1.021 . . . . 71.01 108.243 173.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.1 p -169.61 152.42 4.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.707 0.289 . . . . 52.41 110.774 171.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp 58.82 33.14 22.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.487 -0.779 . . . . 74.42 111.475 176.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.616 ' O ' ' HD2' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -60.4 -45.46 93.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.022 -0.536 . . . . 72.41 109.767 176.496 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.616 ' HD2' ' O ' ' A' ' 100' ' ' LYS . 2.2 mptp? . . . . . 0 C--O 1.247 0.925 0 N-CA-C 108.929 -0.767 . . . . 54.21 108.929 174.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ptp . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.725 0.297 . . . . 75.13 110.344 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -136.26 125.92 25.45 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.226 -0.443 . . . . 62.24 109.817 175.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.56 80.4 0.73 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.744 -0.741 . . . . 42.32 111.541 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.472 ' OD2' ' HB2' ' A' ' 6' ' ' GLU . 28.6 t70 -57.28 134.86 56.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.465 0.65 . . . . 63.52 111.833 -177.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.688 HG22 ' OE1' ' A' ' 6' ' ' GLU . 0.5 OUTLIER -71.0 -28.98 35.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.111 -0.949 . . . . 71.13 111.652 -173.81 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.688 ' OE1' HG22 ' A' ' 5' ' ' ILE . 1.2 mp0 -65.56 -31.2 72.12 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.456 -0.572 . . . . 73.32 109.456 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.717 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 55.2 m80 -63.34 -47.8 80.66 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.748 -0.66 . . . . 73.45 109.84 173.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.557 ' HG2' ' HA ' ' A' ' 5' ' ' ILE . 60.4 mmtt -59.17 -49.69 76.88 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.039 -0.528 . . . . 73.15 111.394 -176.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.418 HG11 ' CE2' ' A' ' 52' ' ' PHE . 7.8 p -63.92 -34.08 66.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.956 -0.566 . . . . 73.03 111.292 -176.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.488 ' CD1' ' HE1' ' A' ' 21' ' ' PHE . 13.4 m-30 -71.99 -32.1 66.9 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.928 -0.397 . . . . 75.04 109.928 177.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.717 ' HG2' ' O ' ' A' ' 7' ' ' HIS . 28.7 mm-40 -59.13 -51.29 70.64 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.032 -0.531 . . . . 71.0 111.837 -174.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.526 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -90.42 -40.14 12.23 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.964 -0.562 . . . . 70.02 112.122 -173.095 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.615 HD21 ' O ' ' A' ' 89' ' ' LEU . 19.6 mt -63.6 -44.2 94.7 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.256 0.465 . . . . 62.35 112.256 -176.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 49.2 pttt -67.25 -19.98 65.6 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.715 -0.394 . . . . 74.34 110.086 179.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -76.81 -45.07 30.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 75.43 110.258 176.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -64.43 -20.02 65.89 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.477 -0.783 . . . . 73.33 110.847 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.606 ' O ' ' HB2' ' A' ' 95' ' ' CYS . . . 109.56 35.47 2.25 Favored Glycine 0 N--CA 1.438 -1.182 0 C-N-CA 120.653 -0.784 . . . . 64.2 111.939 -179.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.596 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.6 t -121.62 138.35 54.36 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.739 -0.384 . . . . 64.44 110.671 174.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.401 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.1 OUTLIER -124.85 -8.98 7.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.103 0.478 . . . . 74.54 109.898 167.666 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.628 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 18.1 t0 -87.34 81.43 7.89 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.605 0.717 . . . . 74.22 111.356 -177.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.488 ' HE1' ' CD1' ' A' ' 10' ' ' TYR . 13.2 p90 -164.29 154.87 14.99 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.733 -1.121 . . . . 73.25 109.903 175.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.95 -176.75 45.35 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.673 -0.775 . . . . 73.24 111.962 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.2 p -107.86 151.3 25.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.805 0.302 . . . . 70.52 111.257 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.796 ' HD2' ' CE2' ' A' ' 53' ' ' PHE . 17.2 ptmt -132.94 160.96 35.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.994 0.426 . . . . 72.42 110.584 175.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.1 t -137.64 81.73 1.88 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.835 -0.621 . . . . 71.22 109.452 173.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.576 ' HB ' ' HE2' ' A' ' 24' ' ' LYS . 6.2 p -85.99 115.29 27.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.145 0.497 . . . . 73.52 110.053 -178.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.3 mt -72.41 126.73 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-O 121.335 0.588 . . . . 60.52 110.638 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.543 ' HB2' ' HE2' ' A' ' 63' ' ' LYS . 42.3 mt-10 -120.16 105.82 11.35 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.131 -0.94 . . . . 75.31 109.115 176.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.843 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -86.01 130.29 34.58 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.41 -0.814 . . . . 64.14 110.368 -177.291 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 81.4 t -86.45 101.11 10.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.102 -0.499 . . . . 64.14 109.936 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -70.51 101.57 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.261 -0.644 . . . . 71.4 109.261 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -90.83 75.09 6.5 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.977 0.417 . . . . 43.4 111.838 -173.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.0 m 55.14 23.89 5.72 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.387 -0.824 . . . . 72.41 113.154 169.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.662 ' CD2' ' HG ' ' A' ' 37' ' ' LEU . 10.1 t60 49.58 53.3 12.96 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.453 0.644 . . . . 60.3 109.499 -174.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -62.5 -37.47 86.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.598 -0.728 . . . . 65.34 111.688 -176.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.1 t -104.52 112.57 25.69 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.373 0.606 . . . . 73.45 110.618 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.662 ' HG ' ' CD2' ' A' ' 34' ' ' HIS . 5.4 mp -98.68 108.71 21.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.628 -0.714 . . . . 65.55 109.266 177.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.529 ' HG ' ' H ' ' A' ' 39' ' ' ASN . 1.3 pt? -135.72 -66.46 0.56 Allowed 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.819 -0.352 . . . . 43.25 111.442 -177.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.529 ' H ' ' HG ' ' A' ' 38' ' ' LEU . 3.2 t-20 -173.82 -73.08 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.453 -0.943 . . . . 64.05 108.453 -178.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.7 p -105.32 151.92 23.57 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.178 -1.045 . . . . 61.43 108.178 168.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -57.94 94.33 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.898 -0.408 . . . . 73.24 109.898 175.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.498 ' HB2' HD11 ' A' ' 38' ' ' LEU . 1.6 tt -33.73 -75.75 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 O-C-N 124.423 1.077 . . . . 73.01 111.323 -178.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -147.99 97.67 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.821 -0.807 . . . . 62.24 108.821 172.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.4 tp -72.92 142.17 47.87 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.425 -0.352 . . . . 54.14 110.148 -177.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 m -67.69 98.69 0.72 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.247 0.546 . . . . 61.41 110.234 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.843 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.18 154.27 19.96 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.779 -0.646 . . . . 71.51 110.177 -177.072 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -127.31 143.18 51.28 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.148 0.499 . . . . 74.05 110.623 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' A' ' 63' ' ' LYS . 17.9 m-30 -77.08 106.88 9.06 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.268 -0.878 . . . . 75.35 110.173 178.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.4 72.31 2.83 Favored Glycine 0 N--CA 1.441 -0.984 0 C-N-CA 120.627 -0.796 . . . . 62.13 111.187 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.532 ' HE2' HG23 ' A' ' 67' ' ' VAL . 3.5 m-85 -64.29 134.98 55.76 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.607 -0.516 . . . . 75.52 109.607 177.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.552 ' HB3' HD12 ' A' ' 58' ' ' ILE . 6.2 m -152.01 161.54 42.48 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 120.777 0.322 . . . . 60.44 110.231 -178.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.55 ' CG ' HD21 ' A' ' 78' ' ' LEU . 34.0 t80 -117.22 127.37 54.03 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.273 -0.421 . . . . 74.14 110.023 175.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.796 ' CE2' ' HD2' ' A' ' 24' ' ' LYS . 0.8 OUTLIER -94.1 140.99 29.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.839 -1.073 . . . . 73.31 112.037 -176.663 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.47 ' HB3' HG23 ' A' ' 59' ' ' VAL . 16.4 tpt180 -146.16 106.21 4.01 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.982 -1.008 . . . . 61.05 109.295 177.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.628 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 7.9 m-70 59.41 28.51 17.89 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 111.973 0.36 . . . . 64.04 111.973 -178.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.58 1.34 85.67 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.414 -0.898 . . . . 54.02 112.464 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -102.72 172.78 6.65 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.416 -0.587 . . . . 62.51 109.416 176.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' A' ' 51' ' ' SER . 13.0 mm -112.65 113.57 44.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-N 116.001 -0.545 . . . . 71.43 110.292 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.654 HG11 HD13 ' A' ' 89' ' ' LEU . 78.7 t -91.45 -37.11 8.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.752 -0.658 . . . . 74.24 110.397 178.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -127.34 144.92 50.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.141 -0.481 . . . . 74.54 110.729 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.576 ' OH ' ' HE3' ' A' ' 63' ' ' LYS . 68.2 t80 -146.5 135.51 22.52 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.429 0.456 . . . . 71.3 110.165 177.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.416 ' HA3' ' HB ' ' A' ' 73' ' ' ILE . . . -156.3 107.74 0.34 Allowed Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.641 -0.583 . . . . 72.44 111.641 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.576 ' HE3' ' OH ' ' A' ' 61' ' ' TYR . 36.8 ttmt -101.05 126.17 47.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.844 0.354 . . . . 73.34 111.027 -178.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.498 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 62.2 m -156.03 161.15 40.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.937 -0.574 . . . . 53.22 110.04 176.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -87.36 -13.28 43.91 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.804 -0.813 . . . . 70.31 108.804 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.426 ' HB2' ' CB ' ' A' ' 69' ' ' ASN . 33.7 mmtp -92.01 116.96 29.37 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.91 -1.041 . . . . 72.31 108.43 171.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.631 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 14.9 p -57.09 -39.72 68.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.75 0.309 . . . . 60.22 110.579 -178.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.15 -39.0 75.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.473 -0.331 . . . . 64.53 111.199 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' CB ' ' HB2' ' A' ' 66' ' ' LYS . 6.2 t30 -68.3 -43.21 78.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.979 0.419 . . . . 71.14 109.917 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -59.99 -50.09 75.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.604 -0.725 . . . . 63.13 111.265 178.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.631 ' HG3' ' O ' ' A' ' 67' ' ' VAL . 46.5 mtmt -59.54 -40.58 87.7 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 116.118 -0.492 . . . . 62.35 110.163 177.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -55.94 -49.39 73.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.367 -0.833 . . . . 74.45 110.679 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.447 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 41.7 mt -58.0 -53.73 41.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.652 -0.703 . . . . 73.1 111.407 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.469 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 3.0 ptt? -63.53 -39.22 93.84 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.836 -0.346 . . . . 53.24 110.743 -177.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.576 ' HA ' HG21 ' A' ' 5' ' ' ILE . 59.6 mttm -60.37 -44.31 95.74 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.527 0.203 . . . . 72.53 110.845 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -64.73 -21.66 66.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.513 -0.312 . . . . 73.12 111.328 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 73' ' ' ILE . 37.6 mmt180 -64.84 -63.86 1.01 Allowed 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.685 -0.234 . . . . 75.2 110.547 177.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.853 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -63.59 -33.62 76.02 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 120.365 -0.534 . . . . 72.02 110.234 178.863 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -50.57 -53.4 30.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.779 -0.646 . . . . 72.04 110.235 178.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -66.56 -27.99 68.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.456 -0.338 . . . . 61.13 111.237 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 91.3 mt -72.29 -41.05 67.08 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 121.193 -0.203 . . . . 71.14 111.113 -178.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.601 HD21 HD11 ' A' ' 5' ' ' ILE . 1.8 pp -79.11 -18.52 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.067 0.46 . . . . 61.11 110.994 178.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -79.75 -50.07 11.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.074 -0.512 . . . . 73.42 110.556 174.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -85.27 -13.07 50.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.604 -0.726 . . . . 73.31 110.434 -174.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.4 ' HA ' ' CD1' ' A' ' 90' ' ' LEU . 48.6 mmtm 67.61 40.21 2.59 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.359 -0.837 . . . . 70.44 111.442 177.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.9 m -81.0 140.42 35.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.544 -0.753 . . . . 42.11 109.777 177.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -68.33 -9.96 51.52 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.339 0.496 . . . . 75.02 112.339 -172.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.504 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -56.13 -38.18 70.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 111.977 0.362 . . . . 64.45 111.977 -175.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.853 HD22 ' HB3' ' A' ' 78' ' ' LEU . 27.2 tp -110.89 -13.12 14.18 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.435 0.636 . . . . 73.15 110.825 177.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 85' ' ' LYS . 16.6 mt -112.84 13.18 19.64 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 113.008 0.744 . . . . 71.05 113.008 -169.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -67.72 158.47 32.24 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.061 0.458 . . . . 74.14 110.79 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.0 t -90.98 145.98 24.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.769 -0.65 . . . . 64.45 109.7 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 98' ' ' SER . 19.5 p -142.49 178.66 7.45 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.685 -0.689 . . . . 70.33 109.346 -176.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -110.9 71.91 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.464 0.174 . . . . 71.42 111.064 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.606 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 24.3 m -91.11 -12.79 34.52 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 120.325 -0.55 . . . . 71.43 110.183 169.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.5 ' HE2' ' CE2' ' A' ' 97' ' ' PHE . 21.1 ptmt -149.67 -44.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.583 -0.735 . . . . 71.43 109.776 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.5 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 22.9 p90 -156.06 170.09 22.98 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.458 -0.941 . . . . 74.41 108.458 175.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.479 ' HB3' ' O ' ' A' ' 93' ' ' CYS . 54.2 p -176.6 -179.38 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.451 0.469 . . . . 71.03 110.796 173.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm 55.91 71.04 0.58 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.482 -0.781 . . . . 72.3 111.095 173.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.671 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 0.6 OUTLIER -96.03 159.13 15.12 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.131 -0.692 . . . . 62.22 109.131 -178.654 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.711 -0.661 . . . . 62.51 110.195 -175.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.658 0.266 . . . . 65.51 110.74 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -74.34 80.69 1.87 Allowed 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.056 0.455 . . . . 75.21 110.484 178.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.23 172.28 27.01 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.826 -0.624 . . . . 53.32 111.973 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -97.04 139.96 32.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.443 0.64 . . . . 64.15 110.295 176.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.577 HG21 ' HA ' ' A' ' 75' ' ' LYS . 0.5 OUTLIER -61.54 -30.72 48.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.847 -1.069 . . . . 74.24 111.751 -175.319 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -64.92 -41.87 95.18 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.702 -0.399 . . . . 62.44 110.252 -176.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -63.96 -34.65 78.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.141 -0.481 . . . . 75.34 109.845 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 59.2 mmtt -63.38 -50.37 70.16 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.775 -0.454 . . . . 72.35 109.775 177.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.726 HG11 ' CZ ' ' A' ' 52' ' ' PHE . 47.5 t -55.14 -41.81 62.02 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 CA-C-N 115.833 -0.621 . . . . 71.21 110.618 179.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 11.0 m-30 -62.78 -52.01 64.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.157 -0.474 . . . . 73.31 109.772 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.476 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 11.2 mm100 -49.48 -45.44 46.9 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 113.45 0.907 . . . . 61.5 113.45 -172.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.57 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -89.97 -43.98 10.19 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 112.111 0.411 . . . . 74.14 112.111 -175.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.57 ' H ' HD12 ' A' ' 12' ' ' LEU . 26.7 mt -65.01 -43.29 93.0 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.132 0.419 . . . . 65.34 112.132 -175.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.58 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 62.9 pttt -64.25 -23.65 67.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.276 0.56 . . . . 63.21 110.108 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -79.77 -41.8 25.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.564 -0.743 . . . . 73.34 110.808 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.49 HE22 ' HB3' ' A' ' 90' ' ' LEU . 6.3 mt-30 -65.2 -34.52 78.57 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.552 0.691 . . . . 72.01 109.842 179.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.616 ' HA2' ' HD3' ' A' ' 96' ' ' LYS . . . 126.37 39.9 0.39 Allowed Glycine 0 N--CA 1.435 -1.381 0 CA-C-N 115.084 -0.962 . . . . 71.4 112.05 -178.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.58 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.8 t -125.96 139.18 53.65 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.28 -0.568 . . . . 64.51 111.073 172.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' OE1' ' SG ' ' A' ' 95' ' ' CYS . 0.0 OUTLIER -124.17 -6.63 7.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.512 0.672 . . . . 75.52 109.553 168.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.597 ' OD2' ' HA ' ' A' ' 55' ' ' HIS . 25.4 t70 -92.4 81.01 4.89 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.443 -0.799 . . . . 71.23 110.959 -174.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.591 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 18.3 p90 -166.65 160.03 14.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.265 -0.88 . . . . 75.31 110.65 177.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.44 167.53 32.6 Favored Glycine 0 CA--C 1.517 0.211 0 N-CA-C 111.71 -0.556 . . . . 42.14 111.71 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.5 p -94.01 151.02 19.83 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 117.057 0.429 . . . . 73.22 111.431 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.569 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -132.31 142.75 49.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.872 -0.604 . . . . 75.52 109.814 173.365 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.8 p -131.97 85.06 2.21 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.304 0.573 . . . . 73.43 110.28 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.439 HG12 ' NZ ' ' A' ' 24' ' ' LYS . 9.7 p -100.68 145.39 11.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.911 -0.774 . . . . 64.41 108.911 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.0 mt -83.32 127.2 39.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-O 121.326 0.584 . . . . 72.01 111.451 -177.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -118.97 101.79 8.29 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.127 -0.942 . . . . 74.33 108.822 174.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.859 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -88.99 139.22 30.67 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.049 -0.523 . . . . 74.3 111.181 -174.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.6 t -98.53 137.54 25.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.582 -0.735 . . . . 62.12 110.42 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.919 ' HA ' HD11 ' A' ' 44' ' ' LEU . 59.9 mmtt -76.7 80.84 3.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.915 0.388 . . . . 74.52 111.059 -175.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.9 m -80.54 -26.4 38.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.221 -0.445 . . . . 65.41 111.247 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 m -65.86 141.45 58.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.936 0.398 . . . . 70.44 111.207 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -81.61 -67.28 0.79 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.859 -0.609 . . . . 70.41 110.0 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' HE3' ' HB2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -145.24 140.9 28.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.051 -0.522 . . . . 74.12 110.828 179.248 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.2 t -177.26 145.57 0.46 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.67 -0.695 . . . . 74.22 109.194 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -125.34 106.71 10.04 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.939 -0.393 . . . . 63.43 109.939 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -162.16 -166.67 1.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.47 -0.332 . . . . 71.3 110.674 178.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.456 ' ND2' HG23 ' A' ' 40' ' ' THR . 10.1 t30 -48.21 -66.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.399 -0.818 . . . . 75.14 111.898 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.456 HG23 ' ND2' ' A' ' 39' ' ' ASN . 1.9 p -113.39 -154.7 0.55 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.534 -0.543 . . . . 41.13 109.534 177.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -90.24 30.45 1.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.136 -0.353 . . . . 74.23 110.174 172.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.2 tp 60.95 -86.88 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.849 -0.614 . . . . 70.21 111.06 -176.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -135.66 105.32 6.12 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.727 -0.842 . . . . 65.0 108.727 176.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.919 HD11 ' HA ' ' A' ' 31' ' ' LYS . 14.3 tp -99.57 136.9 38.83 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.34 -0.391 . . . . 55.32 110.395 -176.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.3 m -68.09 105.52 2.08 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.69 -0.485 . . . . 75.41 109.69 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.859 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -104.62 156.04 18.32 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.047 0.451 . . . . 55.2 111.14 -172.653 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -129.04 144.78 51.3 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.933 -0.576 . . . . 65.14 110.273 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.479 ' CE2' ' HB ' ' A' ' 67' ' ' VAL . 21.2 m-30 -80.54 110.09 15.68 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.818 -0.628 . . . . 64.12 110.097 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.5 72.34 2.85 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.916 -0.659 . . . . 72.43 111.852 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.579 ' CE2' HG23 ' A' ' 67' ' ' VAL . 12.3 m-85 -69.31 134.52 49.2 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.106 -0.331 . . . . 65.3 110.106 175.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.658 ' HG ' ' HD1' ' A' ' 61' ' ' TYR . 1.9 m -154.19 161.14 42.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.785 0.326 . . . . 62.45 110.687 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.726 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 32.0 t80 -116.67 123.79 48.14 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.147 -0.479 . . . . 74.51 110.111 173.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.569 ' CE1' ' HG2' ' A' ' 24' ' ' LYS . 5.3 m-85 -95.86 134.71 38.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.413 -0.812 . . . . 71.54 111.765 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.591 ' HG2' ' HB3' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -135.04 108.41 7.81 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.43 -0.804 . . . . 64.44 108.974 171.445 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.597 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 13.1 m-70 62.78 30.29 16.72 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.952 0.406 . . . . 73.24 111.845 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.92 -4.74 84.71 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.534 -0.841 . . . . 51.42 112.563 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -97.55 169.81 9.46 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.42 -0.585 . . . . 75.05 109.42 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.42 HD12 ' HB3' ' A' ' 51' ' ' SER . 20.7 mm -105.73 118.57 53.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.398 0.618 . . . . 71.25 110.944 -178.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.59 HG11 HD13 ' A' ' 89' ' ' LEU . 84.7 t -94.76 -41.68 12.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.407 -0.815 . . . . 63.12 109.891 176.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.522 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . . . -129.71 148.34 51.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.939 -0.573 . . . . 23.31 111.138 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.658 ' HD1' ' HG ' ' A' ' 51' ' ' SER . 59.7 t80 -146.29 135.07 22.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.069 -0.514 . . . . 73.41 109.771 176.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -151.46 97.87 0.18 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.572 -0.611 . . . . 24.11 111.572 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 48' ' ' TYR . 37.9 ttpt -98.55 123.93 43.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.698 0.285 . . . . 74.43 110.655 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.522 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 57.4 m -153.47 160.15 42.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.803 0.335 . . . . 74.13 110.769 178.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.469 ' HG3' ' HG2' ' A' ' 66' ' ' LYS . 6.9 ptp180 -78.11 -20.05 52.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.271 0.558 . . . . 73.13 109.587 176.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.608 ' HE2' ' HA ' ' A' ' 66' ' ' LYS . 9.8 mmpt? -102.56 122.78 45.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.47 -0.786 . . . . 73.31 108.988 175.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.579 HG23 ' CE2' ' A' ' 50' ' ' PHE . 3.9 p -55.81 -41.17 65.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 O-C-N 123.177 0.298 . . . . 73.3 111.262 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.9 97.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.322 -0.399 . . . . 64.43 111.116 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -68.87 -43.98 74.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 63.0 110.249 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.522 ' HB2' ' HB2' ' A' ' 64' ' ' SER . . . -59.07 -49.36 78.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.63 -0.714 . . . . 72.32 111.197 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.516 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 49.1 mtmt -59.28 -42.7 91.89 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 115.982 -0.554 . . . . 63.32 110.12 177.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -55.5 -46.78 76.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.446 -0.797 . . . . 52.14 110.94 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.515 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 54.7 mt -60.37 -56.41 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.455 -0.793 . . . . 74.34 111.366 -177.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.546 ' SD ' ' HB3' ' A' ' 50' ' ' PHE . 3.4 ptt? -62.51 -39.81 94.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.315 -0.402 . . . . 75.0 110.898 -176.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.577 ' HA ' HG21 ' A' ' 5' ' ' ILE . 63.7 mttm -60.83 -45.87 92.79 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.51 0.195 . . . . 71.13 111.08 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.416 ' HA ' ' HB3' ' A' ' 79' ' ' LEU . 71.4 mm-40 -63.2 -22.02 66.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.422 -0.354 . . . . 62.01 111.594 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.535 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 21.7 mmm180 -65.06 -62.24 1.67 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.264 -0.273 . . . . 65.51 110.264 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.84 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -64.96 -33.58 76.38 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.606 -0.438 . . . . 63.04 110.68 177.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.416 ' HB3' ' HA ' ' A' ' 76' ' ' GLN . 3.1 tm? -52.77 -49.74 64.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.926 -0.579 . . . . 74.32 109.867 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -32.84 74.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.92 -0.582 . . . . 74.41 110.006 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 77' ' ' ARG . 89.7 mt -69.94 -37.56 75.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.956 -0.566 . . . . 61.44 111.343 -176.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.528 HD21 HD11 ' A' ' 5' ' ' ILE . 1.5 pp -82.12 -24.62 35.03 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.945 -0.302 . . . . 63.33 111.414 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -68.75 -45.12 72.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.482 0.658 . . . . 75.12 110.237 173.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -89.93 -17.88 27.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.251 -0.886 . . . . 73.41 110.832 -174.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.45 ' HA ' ' CD1' ' A' ' 90' ' ' LEU . 14.6 mmmm 68.71 39.49 1.98 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.316 -0.856 . . . . 73.33 110.748 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.8 m -75.83 141.33 42.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.525 -0.761 . . . . 51.2 109.816 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 7.4 p30 -69.79 -6.25 30.96 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.216 0.45 . . . . 74.23 112.216 -174.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.445 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.7 mm? -60.39 -34.06 73.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.941 0.401 . . . . 71.15 111.394 -174.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.84 HD22 ' HB3' ' A' ' 78' ' ' LEU . 29.1 tp -109.65 -23.77 11.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.274 0.559 . . . . 75.43 110.438 175.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.49 ' HB3' HE22 ' A' ' 16' ' ' GLN . 7.5 mt -111.88 21.1 16.34 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.584 -0.735 . . . . 64.35 112.485 -166.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 87' ' ' ASN . 28.5 p90 -67.73 159.13 30.78 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.149 0.499 . . . . 74.35 111.253 -178.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.8 p -85.71 131.68 34.28 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.442 -0.799 . . . . 71.54 111.38 -176.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 18.9 p -135.55 171.83 13.88 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.992 -1.004 . . . . 74.12 109.332 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -111.27 66.37 0.63 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.899 -0.321 . . . . 74.21 111.144 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.59 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 24.4 m -82.13 -28.49 32.19 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.201 -0.6 . . . . 55.35 110.598 172.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.616 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 20.9 ptmt -136.97 -48.05 0.6 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.437 -0.347 . . . . 71.54 110.857 175.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.485 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 36.2 p90 -152.54 154.79 36.14 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.049 -0.352 . . . . 52.14 110.049 175.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.454 ' HB3' ' O ' ' A' ' 97' ' ' PHE . 97.0 p 172.27 -163.5 0.02 OUTLIER 'General case' 0 C--O 1.233 0.226 0 O-C-N 124.062 0.851 . . . . 54.54 109.961 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -99.48 163.52 12.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.153 -0.476 . . . . 74.12 109.724 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.531 ' HD3' ' H ' ' A' ' 101' ' ' LYS . 2.3 tppp? -100.34 134.38 43.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.021 0.439 . . . . 71.12 110.617 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.531 ' H ' ' HD3' ' A' ' 100' ' ' LYS . 4.8 mptp? . . . . . 0 C--O 1.249 1.043 0 CA-C-N 115.247 -0.888 . . . . 65.32 110.607 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_